data_5mpg_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5mpg _Structure_validation_residue.Date_analyzed 2017-06-30 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 ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--O 1.226 -0.164 0 CA-C-O 120.964 0.411 . . . . 75.1 109.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -58.62 -36.84 74.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.572 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.75 -27.18 40.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.931 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -90.09 -11.84 40.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.867 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.38 137.96 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.38 0.609 . . . . 74.01 110.707 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HB3' HG13 ' A' ' 60' ' ' VAL . 8.4 tp -111.46 131.7 55.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.318 -0.855 . . . . 73.31 109.335 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -88.55 114.56 25.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.593 -0.521 . . . . 75.01 109.593 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -106.7 97.41 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.175 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.74 144.68 16.8 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.075 -1.059 . . . . 51.31 112.331 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.53 48.33 5.33 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.861 -0.685 . . . . 42.41 112.16 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.603 HD11 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -108.32 179.34 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 73.12 111.426 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.44 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 29.2 t -72.88 155.0 40.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 72.2 110.924 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -78.21 -4.42 47.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.157 0.503 . . . . 74.44 110.032 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -98.19 -8.23 27.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.581 -0.736 . . . . 64.23 109.503 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.603 ' HB ' HD11 ' A' ' 21' ' ' LEU . 47.4 m -75.65 101.11 4.85 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.547 -0.751 . . . . 64.13 111.139 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.9 t -110.36 -176.63 3.03 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.782 -0.821 . . . . 74.32 108.782 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.21 -53.1 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.61 0.364 . . . . 53.42 111.815 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.3 pt-20 -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 73.44 111.634 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -77.27 -30.26 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 70.05 109.933 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.23 -57.03 4.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.548 -0.751 . . . . 72.51 109.899 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 ptm180 -64.82 -36.0 82.9 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.723 -0.391 . . . . 72.44 110.751 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.2 t -62.29 -31.88 72.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.74 0.305 . . . . 74.31 111.115 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.7 m-70 -92.75 -6.38 49.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.527 -0.306 . . . . 75.12 111.496 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' C ' ' H ' ' A' ' 36' ' ' GLN . 27.5 m-85 -110.2 -22.21 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.806 -0.357 . . . . 73.33 111.9 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 40' ' ' LEU . 59.3 mt-10 -73.46 17.72 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.075 0.464 . . . . 75.35 111.12 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 34' ' ' PHE . 14.0 mt-30 -97.8 -20.7 17.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 72.11 111.256 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.0 m-90 -115.76 14.62 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.283 0.563 . . . . 73.21 109.874 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.42 -169.95 38.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.459 -0.877 . . . . 72.01 112.895 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 42.1 m -106.79 124.49 49.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.423 0.289 . . . . 72.22 110.278 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.663 ' HG ' HG23 ' A' ' 60' ' ' VAL . 1.8 mp -92.43 112.63 24.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.16 -0.616 . . . . 74.42 110.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.2 p -80.46 -28.6 37.61 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.44 -0.8 . . . . 61.34 109.857 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.548 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.4 t70 -143.11 99.03 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.632 -0.713 . . . . 74.33 110.278 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.6 p -113.2 133.1 55.23 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 109.027 -0.731 . . . . 74.41 109.027 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.9 121.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.4 0.619 . . . . 62.25 111.492 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.13 142.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.231 -0.655 . . . . 72.11 109.231 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.528 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 24.5 mmt . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 109.979 -0.378 . . . . 73.41 109.979 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 42.3 mtp180 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.837 0.351 . . . . 70.24 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.98 15.21 79.48 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.798 -0.715 . . . . 63.32 113.378 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.94 159.51 18.22 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.771 0.32 . . . . 75.33 110.487 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 -173.4 28.2 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.178 -0.534 . . . . 50.45 112.155 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.29 154.74 48.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 75.11 111.068 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.4 p -148.79 116.49 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.46 -0.791 . . . . 72.4 110.626 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 38.1 m -107.22 125.25 50.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.949 -0.389 . . . . 72.51 109.949 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.487 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 60.0 m-85 -88.47 175.75 7.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.466 -0.334 . . . . 73.01 110.998 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -22.19 58.99 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.519 . . . . 45.41 110.553 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -159.59 162.97 35.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.4 -0.818 . . . . 61.15 110.026 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.543 HG23 HH21 ' A' ' 88' ' ' ARG . 3.5 p -60.61 -32.26 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 73.15 112.338 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.83 -15.75 62.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.686 0.279 . . . . 71.44 111.718 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 29.0 mt-10 -82.91 -37.29 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.531 -0.544 . . . . 63.01 109.531 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG11 HD13 ' A' ' 16' ' ' LEU . 7.7 t -58.0 -43.82 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.636 -0.711 . . . . 65.43 109.495 171.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.44 -41.88 81.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.038 -0.983 . . . . 73.14 110.131 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.79 88.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.914 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.07 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.934 0.397 . . . . 73.22 110.378 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.481 ' HE3' ' HD3' ' A' ' 88' ' ' ARG . 33.8 mtt -68.16 -37.59 81.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 72.2 110.72 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.29 -17.02 63.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.018 0.437 . . . . 74.33 110.619 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.16 7.54 31.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.983 -0.553 . . . . 74.23 111.514 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 87.7 mtm180 -70.97 145.29 91.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.52 -0.309 . . . . 75.21 110.443 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.2 Cg_exo -70.99 126.08 10.05 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.693 -1.378 . . . . 73.33 111.901 -0.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.416 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 26.4 t-80 -69.98 158.99 34.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 60.22 110.615 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -141.82 112.55 7.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.776 -0.647 . . . . 70.22 110.036 -176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.47 127.79 54.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.204 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.9 t70 70.77 -5.22 1.5 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.688 -0.687 . . . . 75.51 111.092 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.44 8.64 30.5 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.311 -0.716 . . . . 62.04 111.311 -174.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 7.9 tpp180 -112.3 132.61 54.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.469 -0.366 . . . . 75.12 110.458 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.01 119.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.095 -0.705 . . . . 75.44 109.095 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -116.1 176.0 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.179 -175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -123.69 105.86 32.51 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 74.13 109.623 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HB2' HD22 ' A' ' 16' ' ' LEU . 28.0 Cg_endo -91.12 106.46 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.179 2.586 . . . . 70.14 112.531 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -111.68 160.22 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 75.32 110.49 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.543 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -63.57 131.01 46.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.15 -0.315 . . . . 75.02 110.15 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 12' ' ' GLN . . . -65.95 122.67 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 72.02 111.109 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.168 -0.678 . . . . 64.32 109.168 176.39 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HG3' HG21 ' A' ' 61' ' ' THR . 37.0 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.477 -0.194 . . . . 75.43 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -56.43 -50.18 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.246 0.546 . . . . 75.13 110.975 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.67 -24.69 62.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.54 -0.755 . . . . 64.35 111.414 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.57 -7.81 27.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.616 0.246 . . . . 74.34 111.56 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.1 ttmm -89.59 136.33 33.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.382 0.61 . . . . 62.42 110.582 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.53 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.52 129.8 53.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.266 -0.879 . . . . 73.32 109.725 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -86.86 113.27 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.819 -0.628 . . . . 72.14 109.452 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.437 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 11.6 mm -109.1 97.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.109 -0.496 . . . . 72.12 110.584 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.93 148.81 18.74 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.051 -1.071 . . . . 55.22 112.42 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.89 11.55 49.6 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.027 -0.606 . . . . 62.11 112.698 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -81.41 163.68 22.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.563 0.221 . . . . 71.55 110.57 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -82.61 173.55 11.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.252 0.549 . . . . 63.13 111.435 -170.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.93 2.36 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.582 0.706 . . . . 64.24 109.644 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.31 -14.86 24.98 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.003 -0.999 . . . . 71.54 108.9 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.545 ' HB ' HD13 ' A' ' 21' ' ' LEU . 27.4 m -72.56 130.03 39.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.162 -0.926 . . . . 74.12 110.425 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -133.14 163.04 30.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 73.12 109.908 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.74 -46.75 41.49 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 62.33 111.667 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.08 -44.26 92.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.446 . . . . 75.03 112.158 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 p -78.17 -28.88 48.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 75.11 110.287 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HG ' HG22 ' A' ' 45' ' ' VAL . 3.0 tm? -65.4 -45.62 83.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.275 -0.875 . . . . 75.24 108.984 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptp85 -71.96 -38.84 69.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 120.403 -0.519 . . . . 74.13 110.156 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.6 m -59.79 -38.29 81.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.7 0.286 . . . . 60.24 111.254 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.7 -35.95 62.72 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.832 -0.347 . . . . 72.25 111.523 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' A' ' 40' ' ' LEU . 39.7 m-85 -85.59 -17.66 35.57 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.145 -0.622 . . . . 74.42 112.35 -178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 23.6 mt-10 -79.01 14.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.472 . . . . 75.42 110.942 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.88 -32.05 20.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.062 -0.517 . . . . 71.11 110.722 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -108.69 15.27 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.37 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 161.68 -169.23 37.08 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.233 -0.984 . . . . 65.12 113.385 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -112.82 124.87 53.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 62.2 111.185 -178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 60' ' ' VAL . 28.6 mt -91.36 111.14 22.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.131 0.491 . . . . 74.34 110.466 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.7 p -81.98 -24.65 35.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 74.12 110.042 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -143.32 96.41 2.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.053 -0.976 . . . . 74.42 109.754 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.11 139.5 53.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.379 -0.373 . . . . 74.41 110.391 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.8 147.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.878 0.371 . . . . 73.14 111.359 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.415 HG22 ' HG ' ' A' ' 30' ' ' LEU . 60.3 t -119.77 139.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.04 174.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HE3' ' CD2' ' A' ' 59' ' ' PHE . 1.5 mpt? . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.284 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 121.003 0.43 . . . . 74.3 110.395 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.85 60.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.647 -0.787 . . . . 60.32 112.187 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -165.52 161.69 18.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.078 0.466 . . . . 74.51 111.017 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 178.61 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.816 -0.914 . . . . 64.42 110.816 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.7 m-85 -133.97 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 73.1 111.27 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.586 ' HB ' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -147.34 111.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.33 -0.85 . . . . 74.3 111.194 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.591 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 4.3 m -97.75 114.65 26.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.631 -0.713 . . . . 63.4 109.604 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -78.03 172.82 12.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.765 0.317 . . . . 64.32 111.151 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.99 57.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 72.42 109.965 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.459 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.3 t -154.69 156.38 36.32 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.496 -0.775 . . . . 64.2 110.678 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.25 -29.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 61.4 111.207 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.84 -35.56 64.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.226 0.536 . . . . 74.4 111.046 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.4 mt-10 -81.76 -33.89 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 74.15 110.439 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 16' ' ' LEU . 40.5 t -59.95 -45.94 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.808 -0.633 . . . . 75.1 110.44 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -57.16 -46.0 83.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 73.31 110.506 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.57 90.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 61.41 111.199 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.34 90.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 64.11 111.253 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 45.6 mtt -66.77 -42.22 86.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.953 0.406 . . . . 73.51 110.616 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.69 -15.24 63.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 64.5 110.952 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 5.36 36.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 71.33 111.493 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 14.6 ptm180 -78.4 155.67 78.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.063 -0.347 . . . . 73.14 110.063 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 22.9 Cg_exo -63.93 123.79 3.55 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.7 -1.375 . . . . 73.13 112.37 1.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.494 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -78.11 154.56 31.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 64.31 110.625 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -133.26 114.22 13.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.057 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG23 ' CE2' ' A' ' 34' ' ' PHE . 79.7 t -121.79 127.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.285 . . . . 64.21 110.638 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 67.18 -58.87 0.4 Allowed 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.32 1.012 . . . . 63.01 110.7 -175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.84 34.98 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.268 -1.533 . . . . 44.45 109.268 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -143.55 133.39 23.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.483 -0.859 . . . . 75.42 109.53 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.4 t -73.43 114.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.873 -0.417 . . . . 72.15 109.873 176.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -104.16 163.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.392 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -118.58 102.41 49.93 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 109.793 -0.447 . . . . 64.12 109.793 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -90.61 111.41 0.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 123.124 2.55 . . . . 74.51 112.667 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.56 165.04 19.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.709 . . . . 74.42 109.686 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.16 130.29 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.659 0.266 . . . . 75.14 110.47 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 15' ' ' LYS . . . -80.39 131.81 35.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.127 0.489 . . . . 64.02 111.573 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.66 . . . . 73.45 109.43 174.237 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.3 tt0 . . . . . 0 C--O 1.22 -0.462 0 N-CA-C 110.256 -0.276 . . . . 64.03 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.5 -54.61 38.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.381 0.61 . . . . 75.55 111.248 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD22 ' HB ' ' A' ' 65' ' ' VAL . 6.6 tt -70.82 -23.57 62.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.42 -0.809 . . . . 72.33 111.777 -173.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -99.17 -7.43 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.391 -0.368 . . . . 75.43 111.314 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 22.0 ttmm -89.17 136.73 32.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.249 0.547 . . . . 72.31 110.498 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.556 ' HB3' HG22 ' A' ' 60' ' ' VAL . 8.2 tp -105.45 127.61 53.09 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.327 -0.852 . . . . 74.23 109.714 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 24.4 t80 -86.0 113.58 22.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.222 -0.658 . . . . 73.35 109.222 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mm -108.68 102.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.362 -0.381 . . . . 74.03 110.121 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.73 150.34 18.67 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 119.815 -1.184 . . . . 61.35 111.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.37 26.07 21.92 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.951 -0.642 . . . . 42.13 112.648 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.6 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -96.46 167.7 11.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 65.44 110.961 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m -72.46 166.68 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 75.25 111.063 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.85 -7.07 59.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.553 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -93.93 -9.52 36.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 54.43 110.047 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.6 ' HB ' HD12 ' A' ' 21' ' ' LEU . 86.3 m -73.61 104.85 4.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.67 -0.695 . . . . 71.11 110.689 176.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.5 t -116.25 -177.3 3.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.827 -0.624 . . . . 73.33 109.388 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.39 -55.18 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.27 0.47 . . . . 63.14 112.27 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.57 -35.78 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 65.32 111.701 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 -13.93 41.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.576 -0.45 . . . . 72.33 111.214 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 tp -81.28 -51.03 8.82 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.487 -0.56 . . . . 74.2 109.487 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 8.3 ptt180 -63.75 -37.47 87.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.701 -0.681 . . . . 75.44 110.652 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -60.6 -34.14 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.12 111.167 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.589 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 44.8 m80 -89.66 -4.41 57.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.992 0.368 . . . . 73.24 111.992 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 40' ' ' LEU . 42.0 m-85 -116.64 -16.06 10.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.274 0.472 . . . . 64.13 112.274 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 47.7 mt-10 -75.76 8.12 3.29 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.178 0.513 . . . . 74.13 110.647 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 34' ' ' PHE . 11.7 mt-30 -84.07 -28.75 27.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.976 -0.556 . . . . 72.5 111.177 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.589 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -107.37 11.37 29.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 71.44 110.531 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 164.51 -159.18 32.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.26 -0.972 . . . . 71.44 113.252 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.5 m -115.24 121.74 43.86 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.529 0.331 . . . . 74.55 110.864 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.6 mt -91.66 100.51 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.191 0.52 . . . . 63.13 110.1 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.3 p -75.69 -21.4 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.984 -1.007 . . . . 75.4 110.204 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.632 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 30.4 t70 -143.31 103.65 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.368 -0.833 . . . . 73.32 110.091 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -112.17 145.7 39.38 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.626 -0.509 . . . . 73.43 109.626 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -168.02 141.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 64.43 110.985 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' A' ' 26' ' ' THR . 34.9 m -122.41 151.28 26.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.41 -0.589 . . . . 74.33 109.41 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 C--N 1.315 -0.894 0 N-CA-C 108.097 -1.075 . . . . 72.1 108.097 174.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.696 0.284 . . . . 73.21 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.6 70.19 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.468 -0.873 . . . . 42.34 112.823 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.0 158.98 20.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.773 0.321 . . . . 61.12 110.561 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.72 -173.09 25.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.213 -0.517 . . . . 70.04 112.338 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.464 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.2 m-85 -135.99 149.46 48.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.101 0.477 . . . . 74.13 111.041 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.556 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.15 112.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.564 -0.744 . . . . 72.44 110.787 -178.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.632 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -97.29 116.95 30.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 71.45 110.104 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' A' ' 39' ' ' THR . 61.7 m-85 -79.18 174.28 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.334 -0.394 . . . . 73.15 110.944 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.63 61.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.298 0.57 . . . . 75.11 109.67 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.3 t -141.69 156.82 45.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.812 . . . . 73.13 110.073 179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' HB ' HD22 ' A' ' 13' ' ' LEU . 3.2 p -57.39 -28.72 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 62.51 111.65 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.12 -32.34 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 70.34 111.508 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.2 mt-10 -75.96 -38.2 57.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.124 0.488 . . . . 72.5 109.946 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 16' ' ' LEU . 42.2 t -56.34 -46.31 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.43 -0.804 . . . . 70.04 110.411 174.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.79 -47.75 73.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 75.55 111.037 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.6 97.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 63.3 111.2 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.64 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.242 -0.436 . . . . 75.11 110.754 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.712 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 mtt -69.54 -33.39 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.908 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -71.6 -17.66 62.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 73.43 110.762 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.19 22.39 3.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.856 -0.611 . . . . 61.31 112.273 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.712 ' HD2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -94.41 154.44 40.27 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.162 -0.31 . . . . 62.14 110.162 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 23.4 Cg_exo -64.65 125.18 4.84 Favored 'Cis proline' 0 C--O 1.236 0.403 0 C-N-CA 123.662 -1.391 . . . . 74.1 112.187 -0.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.509 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 22.8 t-80 -71.49 161.66 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.387 -0.824 . . . . 70.51 110.476 -174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -142.36 110.46 5.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.098 0.475 . . . . 74.41 110.853 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.51 129.02 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 73.44 109.847 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.74 22.84 13.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.6 0.714 . . . . 74.53 110.246 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.66 8.63 87.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.838 -0.696 . . . . 73.22 112.172 -176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -110.88 138.09 47.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.557 0.218 . . . . 73.4 110.719 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -85.46 123.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.24 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 21' ' ' LEU . 26.2 m -118.08 168.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.052 -0.522 . . . . 75.45 111.147 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -113.23 105.35 55.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.581 . . . . 64.13 109.927 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -89.7 106.94 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.914 2.409 . . . . 75.52 111.894 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -122.83 162.01 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.12 110.339 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HD3' ' HE1' ' A' ' 72' ' ' MET . 1.9 tpt180 -61.65 141.71 57.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.425 -0.352 . . . . 63.22 110.539 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.41 149.72 31.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.439 0.638 . . . . 65.24 111.473 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-N 115.076 -0.965 . . . . 73.41 108.438 174.127 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 108.183 -1.043 . . . . 72.45 108.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -48.98 -56.72 8.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.762 -1.108 . . . . 74.34 111.737 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -8.59 59.64 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.486 -0.486 . . . . 72.33 110.684 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -99.44 -1.06 39.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 74.11 110.202 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.5 ttmm -105.86 139.85 39.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 74.21 110.207 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.657 ' HG ' HG11 ' A' ' 68' ' ' VAL . 6.4 mt -101.47 130.88 47.81 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.603 -0.726 . . . . 73.12 110.599 175.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -91.55 118.56 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.597 -0.729 . . . . 72.32 109.438 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -109.48 98.45 7.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.287 -0.415 . . . . 64.23 110.328 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 146.02 17.23 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.193 -1.003 . . . . 54.21 112.283 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 37.59 7.73 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 72.12 112.412 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.8 pp -103.53 169.61 8.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 74.51 110.795 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -74.52 162.38 28.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.963 -0.562 . . . . 72.52 111.157 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -83.85 8.7 14.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.361 0.6 . . . . 72.35 110.443 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -106.18 -7.83 17.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.324 -0.853 . . . . 65.11 109.496 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.557 ' HB ' HD13 ' A' ' 21' ' ' LEU . 25.2 m -70.27 118.16 12.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.496 -0.774 . . . . 60.22 110.29 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -119.55 163.87 16.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.311 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.26 -45.16 65.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.507 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.33 -38.73 92.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.599 . . . . 74.13 111.874 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -83.9 -28.18 28.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.542 . . . . 73.45 110.057 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' O ' ' HD2' ' A' ' 34' ' ' PHE . 3.0 tm? -64.03 -53.59 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.797 -0.816 . . . . 74.44 108.797 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 40' ' ' LEU . 8.0 ptt180 -66.9 -35.78 80.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.026 -0.533 . . . . 75.4 110.103 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 t -64.39 -31.99 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.633 0.254 . . . . 64.42 111.132 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 30.1 m-70 -91.26 -6.4 53.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.619 0.229 . . . . 73.44 111.619 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 36' ' ' GLN . 36.9 m-85 -111.54 -21.54 11.7 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 72.21 112.052 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' OE2' ' HG3' ' A' ' 31' ' ' ARG . 50.2 mt-10 -72.17 8.15 1.42 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.178 0.513 . . . . 74.34 111.068 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.1 mt-30 -84.91 -28.07 26.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.031 -0.531 . . . . 75.15 111.137 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.1 m-90 -108.9 8.02 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.908 -0.317 . . . . 74.52 110.645 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.99 -173.89 42.89 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 119.973 -1.108 . . . . 73.34 113.72 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 27.8 m -102.47 124.55 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.663 0.385 . . . . 72.34 110.618 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 31' ' ' ARG . 11.1 mt -92.73 112.36 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.251 0.548 . . . . 73.41 111.108 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.41 -27.78 34.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.385 -0.825 . . . . 70.2 109.982 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.11 94.89 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.7 -0.682 . . . . 74.3 111.072 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.1 p -107.11 128.47 54.42 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.275 -0.639 . . . . 75.13 109.275 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.57 130.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 72.13 112.014 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -107.31 130.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 64.11 110.089 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.612 -0.514 . . . . 64.14 109.612 -179.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.888 0.375 . . . . 73.41 110.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.82 13.71 69.01 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.757 -0.656 . . . . 72.21 111.785 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -162.08 159.38 26.11 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 64.11 111.008 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.91 177.88 30.33 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.2 -0.909 . . . . 53.04 111.018 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -128.85 149.99 50.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.48 0.657 . . . . 74.24 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.556 HG12 ' HB2' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -144.71 103.64 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.782 -1.099 . . . . 74.51 109.747 -176.47 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -98.26 119.71 37.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.511 -0.768 . . . . 74.14 109.651 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 39' ' ' THR . 59.5 m-85 -87.19 175.52 8.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.804 0.335 . . . . 73.44 110.628 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.88 65.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 54.44 109.907 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.429 HG21 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -138.92 162.22 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.462 -0.79 . . . . 75.44 110.034 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.8 -30.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.327 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.13 -38.52 73.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 63.53 111.454 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -72.64 -36.42 68.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 72.11 110.29 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.657 HG11 ' HG ' ' A' ' 16' ' ' LEU . 25.2 t -59.91 -49.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 72.43 110.303 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.31 -36.1 77.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 74.04 110.938 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.24 91.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 73.22 110.56 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 74.23 110.473 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.643 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 34.2 mtt -68.94 -42.31 76.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.068 -0.515 . . . . 75.12 110.449 177.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -66.67 -15.51 63.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 74.42 110.451 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 1.35 56.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.761 -0.654 . . . . 71.13 111.721 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.646 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 36.7 ptt180 -82.46 154.11 68.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.106 -0.331 . . . . 71.13 110.106 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.646 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 39.5 Cg_exo -59.58 128.42 3.98 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.455 -1.477 . . . . 75.44 112.687 0.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.474 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 28.2 t-80 -80.53 165.72 21.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.257 -0.883 . . . . 62.34 110.347 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -142.46 110.7 6.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.373 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.08 129.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 75.11 109.655 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 67.46 18.32 10.07 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.617 0.723 . . . . 71.21 110.156 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.89 6.44 89.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.993 -0.623 . . . . 74.43 111.673 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 21.5 tpp180 -103.87 127.45 51.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 75.12 110.131 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 69.3 t -77.46 108.0 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.686 -0.487 . . . . 74.14 109.686 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 34.3 m -106.41 173.28 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.122 -0.49 . . . . 72.14 111.071 -176.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.44 107.16 23.82 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.875 -0.602 . . . . 72.32 110.022 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -89.77 120.48 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.111 2.54 . . . . 75.51 112.258 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -128.49 158.99 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.051 -0.522 . . . . 63.3 110.505 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.38 124.17 19.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.703 -0.48 . . . . 71.53 109.703 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 15' ' ' LYS . . . -71.34 159.18 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.177 0.513 . . . . 64.04 111.7 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 109.016 -0.735 . . . . 71.2 109.016 175.678 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.254 -0.647 . . . . 72.24 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -51.69 -57.87 7.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.117 -0.947 . . . . 73.45 112.02 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -4.97 59.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.741 -0.384 . . . . 74.05 111.644 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -101.81 -10.88 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.911 0.386 . . . . 74.1 110.666 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.9 ttmm -91.74 134.96 34.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.251 0.548 . . . . 71.13 110.052 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HB3' HG22 ' A' ' 60' ' ' VAL . 9.5 tp -100.75 127.64 47.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 74.43 109.577 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -88.59 115.89 26.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.989 -0.55 . . . . 65.11 109.713 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.503 HG13 HD21 ' A' ' 30' ' ' LEU . 9.1 mm -107.4 94.31 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.012 -0.54 . . . . 73.31 109.946 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.96 145.04 16.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.333 -0.937 . . . . 36.38 111.982 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.74 6.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.769 -0.729 . . . . 52.51 112.01 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -109.64 174.23 5.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.166 0.508 . . . . 74.42 111.53 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -66.99 151.88 46.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.223 -0.899 . . . . 65.23 111.197 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -78.2 0.93 23.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.29 0.567 . . . . 74.02 109.901 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.41 -5.97 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.402 -0.817 . . . . 74.11 109.697 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.601 ' HB ' HD12 ' A' ' 21' ' ' LEU . 62.0 m -65.56 103.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 64.52 110.792 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -97.65 161.1 13.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.328 -0.851 . . . . 73.3 110.701 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.459 ' HA ' HG11 ' A' ' 45' ' ' VAL . 3.1 m-20 -46.31 -49.42 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.998 0.811 . . . . 72.1 111.505 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' SER . 7.5 pt-20 -64.29 -41.25 96.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 64.02 111.56 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.3 t -69.89 -35.89 74.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.146 0.498 . . . . 63.31 109.889 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' HG23 ' A' ' 79' ' ' VAL . 3.6 tt -69.08 -50.25 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 73.23 109.468 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.488 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 ptm180 -62.9 -34.03 76.57 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.637 -0.425 . . . . 64.51 110.219 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.055 0.455 . . . . 63.41 110.412 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.7 m-70 -83.6 -11.13 57.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.085 -0.507 . . . . 70.11 111.424 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' A' ' 36' ' ' GLN . 32.3 m-85 -110.05 -14.93 14.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.406 0.521 . . . . 71.33 112.406 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 40' ' ' LEU . 27.9 mt-10 -75.85 15.58 0.51 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.348 0.594 . . . . 64.51 111.188 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 34' ' ' PHE . 46.6 mt-30 -93.69 -36.08 12.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.808 -0.633 . . . . 73.4 110.649 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.596 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -101.25 11.26 39.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.964 -0.562 . . . . 61.1 110.221 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.556 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.3 -166.25 37.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.867 -0.683 . . . . 64.31 112.48 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -115.03 123.08 48.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.304 0.242 . . . . 62.54 110.825 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD22 ' HG3' ' A' ' 35' ' ' GLU . 1.2 mm? -85.49 116.05 23.57 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.981 -0.687 . . . . 73.12 109.788 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.6 p -83.63 -23.03 32.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.557 -0.747 . . . . 73.3 109.751 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.528 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.7 t70 -147.3 99.59 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.308 -0.86 . . . . 71.2 110.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB2' HG11 ' A' ' 60' ' ' VAL . 12.6 t -113.66 141.01 47.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.727 -0.471 . . . . 74.21 109.727 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 10.5 p -162.01 140.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.392 -0.367 . . . . 65.1 111.045 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 27' ' ' ASP . 15.8 m -116.84 143.5 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.167 0.508 . . . . 73.51 110.345 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.763 -0.653 . . . . 74.22 110.721 -178.407 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 120.757 0.313 . . . . 72.42 111.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.42 7.33 2.81 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.161 -0.775 . . . . 65.1 111.161 -172.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -155.19 162.21 41.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.944 0.402 . . . . 64.32 110.826 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.07 -179.59 32.12 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.021 -0.832 . . . . 75.1 111.021 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.476 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.4 m-85 -134.47 152.91 52.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.149 0.5 . . . . 75.41 111.322 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.22 112.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 74.35 110.356 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 m -93.18 117.12 29.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.675 -0.693 . . . . 64.23 109.321 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -79.06 178.22 8.2 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.66 0.267 . . . . 75.24 110.72 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.72 49.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.284 0.564 . . . . 53.24 109.673 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.438 HG21 ' HG3' ' A' ' 67' ' ' GLU . 3.2 t -144.33 157.31 44.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.391 -0.822 . . . . 73.43 110.087 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.77 -23.54 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 75.02 111.856 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -61.92 -33.42 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.979 0.419 . . . . 74.23 111.14 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 28.5 mt-10 -76.32 -36.83 58.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.974 -0.557 . . . . 70.2 109.902 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 16' ' ' LEU . 25.7 t -56.69 -48.05 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.52 -0.764 . . . . 62.34 110.572 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.94 -41.1 91.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 72.33 110.951 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.95 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 64.43 110.75 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.21 79.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.031 -0.531 . . . . 73.43 110.628 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.0 mtt -67.27 -45.85 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.508 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -59.51 -23.37 62.76 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.011 0.434 . . . . 36.38 110.688 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.58 0.88 32.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 75.55 112.053 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' MET . 21.9 ptt180 -73.1 147.36 88.12 Favored Pre-proline 0 C--O 1.233 0.226 0 N-CA-C 110.209 -0.293 . . . . 71.03 110.209 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 42.3 Cg_endo -66.58 127.14 7.85 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.348 -1.522 . . . . 73.13 112.616 1.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.516 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 30.0 t-80 -80.74 162.84 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.84 -0.618 . . . . 71.54 109.763 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -141.8 112.45 7.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.437 -0.347 . . . . 74.3 110.188 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' ' 30' ' ' LEU . 1.4 p -137.0 129.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.352 -0.385 . . . . 74.42 110.225 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 t70 64.71 19.64 11.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.554 -0.748 . . . . 74.52 110.383 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.94 17.53 74.58 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 115.935 -0.575 . . . . 52.21 112.562 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -120.74 121.88 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.935 -0.394 . . . . 73.12 109.935 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 88.5 t -64.41 120.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 72.42 109.948 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -115.64 174.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.053 0.454 . . . . 73.32 111.41 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.81 105.7 29.58 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.648 -0.706 . . . . 73.1 109.498 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HB2' HD22 ' A' ' 16' ' ' LEU . 29.8 Cg_endo -89.96 107.68 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.057 2.505 . . . . 64.33 112.268 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.65 162.04 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 63.21 110.778 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -62.45 130.75 46.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.282 -0.417 . . . . 75.35 110.125 176.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.22 139.72 46.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.141 0.496 . . . . 71.11 111.326 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 109.03 -0.73 . . . . 73.21 109.03 175.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.722 0.296 . . . . 73.42 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 8.8 pt20 -68.23 -31.5 71.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.295 0.569 . . . . 73.41 110.362 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.55 -38.93 67.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.554 -0.748 . . . . 75.33 110.547 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.06 -8.46 59.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.127 -0.942 . . . . 72.0 110.896 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.786 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 3.9 ttmp? -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.922 -0.581 . . . . 73.14 111.637 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 60' ' ' VAL . 7.5 mt -99.67 132.14 45.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.359 -0.837 . . . . 72.41 110.636 174.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.511 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 32.0 t80 -92.58 111.54 23.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.98 -0.748 . . . . 71.32 108.98 174.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' HB3' ' A' ' 16' ' ' LEU . 19.3 mm -106.05 102.81 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.382 -0.372 . . . . 74.23 110.438 -175.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.48 147.05 17.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.252 -0.975 . . . . 73.21 112.45 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.69 53.68 2.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.986 -0.626 . . . . 54.24 112.68 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -123.89 166.36 15.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 61.13 110.882 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.19 160.97 23.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.11 -0.495 . . . . 74.4 111.726 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.53 1.3 30.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.476 0.655 . . . . 75.12 110.047 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -101.06 -14.32 17.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 74.4 109.597 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 21' ' ' LEU . 33.2 m -72.27 109.66 6.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.197 -0.91 . . . . 74.32 110.576 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' HG2' ' A' ' 28' ' ' GLU . 7.2 t -117.04 168.76 9.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.877 -0.601 . . . . 74.31 109.855 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.93 -50.7 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.752 0.658 . . . . 72.34 111.319 -175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.7 pt-20 -63.88 -44.68 92.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 74.13 111.95 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.8 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.14 0.495 . . . . 73.14 110.404 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD13 HG11 ' A' ' 45' ' ' VAL . 8.2 tt -76.76 -45.73 27.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.788 -0.642 . . . . 64.34 109.663 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 14.7 ptt180 -65.07 -34.15 77.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.029 -0.532 . . . . 74.24 110.229 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -62.25 -22.78 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 52.1 111.054 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' A' ' 79' ' ' VAL . 44.8 m-70 -89.65 -38.89 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.34 111.056 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 40' ' ' LEU . 51.4 m-85 -82.51 -19.44 38.69 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.182 0.438 . . . . 75.52 112.182 -176.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 40.6 mt-10 -74.49 9.33 1.78 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.781 0.324 . . . . 74.45 110.96 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 34' ' ' PHE . 13.8 mt-30 -90.59 -24.33 20.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.533 -0.303 . . . . 72.21 111.425 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.82 13.66 18.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.967 0.413 . . . . 74.14 110.4 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.48 -176.55 38.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.325 -0.941 . . . . 72.31 113.239 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -99.54 123.21 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 74.45 111.152 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD22 ' HB ' ' A' ' 60' ' ' VAL . 19.8 mt -93.91 112.76 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 71.4 109.988 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.1 p -80.61 -29.86 36.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.384 0.611 . . . . 62.12 109.449 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 15.0 m-20 -138.3 87.01 2.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 61.34 109.683 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.587 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 1.3 p -111.15 117.7 33.95 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.654 -0.703 . . . . 73.0 110.122 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.09 139.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.919 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 HG11 HD13 ' A' ' 30' ' ' LEU . 23.9 m -101.6 163.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.348 -0.387 . . . . 75.52 110.096 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 C--N 1.318 -0.785 0 C-N-CA 120.596 -0.442 . . . . 74.42 110.423 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.851 ' HD3' ' HE2' ' A' ' 57' ' ' PHE . 5.7 ttt180 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.78 0.324 . . . . 74.23 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.68 13.21 5.72 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.124 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.851 ' HE2' ' HD3' ' A' ' 55' ' ' ARG . 10.5 p90 -165.53 166.26 18.39 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.943 -0.392 . . . . 73.04 109.943 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.58 -173.98 29.83 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.904 -0.665 . . . . 73.32 112.506 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 89.3 m-85 -131.96 150.32 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.336 0.588 . . . . 71.51 111.167 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -142.46 110.54 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.37 -0.832 . . . . 62.31 110.888 176.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 7.8 m -98.79 108.98 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.649 -0.705 . . . . 62.35 109.585 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 39' ' ' THR . 63.4 m-85 -75.44 171.13 14.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.746 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.42 62.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.344 0.592 . . . . 63.24 109.841 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.479 HG21 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -151.31 156.11 40.12 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.33 -0.85 . . . . 74.41 109.799 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -62.3 -20.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 73.01 111.087 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.18 -36.82 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.685 . . . . 62.14 110.433 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.533 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 23.2 mt-10 -79.17 -35.34 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 74.53 110.138 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 72' ' ' MET . 31.4 t -56.37 -48.38 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.605 -0.725 . . . . 75.05 110.498 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.93 -38.94 83.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 75.1 110.952 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.08 93.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 75.14 110.658 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.47 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 75.54 110.392 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 38.8 mtt -70.54 -32.58 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.518 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -75.0 -15.6 60.65 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.019 0.437 . . . . 74.22 110.464 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.79 9.46 16.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.911 -0.586 . . . . 73.44 111.264 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 15.2 ptt180 -73.86 148.66 87.33 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.081 -0.509 . . . . 74.35 110.412 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.84 124.17 8.47 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.615 -1.41 . . . . 72.23 111.544 -1.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 16.8 t-80 -67.85 155.44 39.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.249 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 5.2 tppp? -142.19 101.89 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 73.23 110.466 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 33' ' ' HIS . 1.4 p -126.71 126.58 68.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 74.11 109.947 176.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 65.13 21.41 12.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 75.32 110.189 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 79.19 12.21 84.23 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.857 -0.687 . . . . 52.42 111.969 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.9 tpt85 -111.67 127.44 55.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.066 -0.346 . . . . 73.24 110.066 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.2 t -78.61 107.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 71.34 109.826 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 33.2 m -100.51 172.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.046 -0.524 . . . . 74.45 111.195 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 43.9 tt0 -122.02 106.66 36.17 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.725 -0.67 . . . . 73.15 109.728 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 10.8 Cg_endo -88.89 108.68 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.156 2.571 . . . . 73.11 112.317 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -115.45 159.91 20.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.101 -0.499 . . . . 74.41 110.679 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -62.8 136.68 57.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.393 . . . . 72.34 110.022 175.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -80.47 157.68 26.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.318 0.58 . . . . 73.33 111.631 -177.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.247 -0.888 . . . . 72.13 109.237 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.9 tt0 . . . . . 0 C--O 1.223 -0.307 0 CA-C-O 120.715 0.293 . . . . 73.13 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.56 -50.95 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 75.4 111.317 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 13' ' ' LEU . 3.9 pp -90.27 -13.11 36.0 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.575 -0.45 . . . . 73.53 111.742 -172.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -95.88 -7.17 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.665 0.269 . . . . 72.52 111.008 177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -92.31 135.88 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 74.51 110.374 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.579 ' HG ' HG11 ' A' ' 68' ' ' VAL . 4.9 mt -95.58 128.1 42.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.761 -0.654 . . . . 62.2 110.746 174.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.23 113.8 25.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 70.41 109.199 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 mm -106.35 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.293 -0.412 . . . . 65.14 110.398 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 141.12 15.74 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.15 -1.024 . . . . 72.32 112.207 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.92 46.68 2.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.594 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.688 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.3 pp -117.34 170.03 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.58 0.229 . . . . 73.32 110.4 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.512 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 12.2 m -80.74 167.56 19.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.999 0.428 . . . . 73.55 111.058 -173.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -78.71 -5.27 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.232 0.539 . . . . 53.11 110.694 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -95.4 -7.1 39.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.65 . . . . 74.52 109.353 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.582 ' HB ' HD12 ' A' ' 21' ' ' LEU . 23.6 m -78.02 102.8 7.58 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.182 -0.917 . . . . 72.15 110.276 176.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 28' ' ' GLU . 8.9 t -106.83 172.08 7.02 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.811 -0.44 . . . . 74.51 109.811 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' HA ' HG23 ' A' ' 45' ' ' VAL . 1.6 m-20 -50.15 -49.23 52.81 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.77 0.669 . . . . 72.25 111.74 -173.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 pt-20 -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 71.01 111.153 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.209 0.528 . . . . 75.11 109.931 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' HA ' HG21 ' A' ' 79' ' ' VAL . 4.9 tt -75.48 -50.39 15.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.43 -0.804 . . . . 75.51 110.227 -173.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 ptm180 -60.74 -41.31 95.14 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.777 -0.369 . . . . 75.21 110.348 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 m -65.47 -22.54 66.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.876 0.37 . . . . 72.15 111.362 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -81.76 -46.19 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.763 0.316 . . . . 72.42 110.638 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' HB2' HD11 ' A' ' 40' ' ' LEU . 31.4 m-85 -79.15 -13.97 59.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.186 0.439 . . . . 75.44 112.186 -174.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 56.6 mt-10 -78.66 13.32 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 73.01 111.066 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.7 mt-30 -88.93 -33.64 17.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.209 0.528 . . . . 74.11 110.396 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 27.0 m-90 -102.79 9.64 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.871 -0.604 . . . . 73.5 110.556 -177.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.55 -170.73 39.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.256 -0.973 . . . . 53.32 113.345 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 32.3 m -106.87 124.29 49.4 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.503 0.321 . . . . 74.22 110.608 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.4 mt -93.94 108.26 20.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.103 -0.332 . . . . 74.34 110.103 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.9 p -82.99 -19.14 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.453 0.644 . . . . 63.55 109.72 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -145.82 97.28 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.119 -0.946 . . . . 62.43 109.863 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.71 143.65 49.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.65 0.262 . . . . 72.42 110.496 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.51 148.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 64.12 110.618 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 27' ' ' ASP . 87.5 t -113.36 139.31 39.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.836 -0.431 . . . . 72.21 109.836 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 109.251 -0.648 . . . . 74.5 109.251 177.666 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.787 0.327 . . . . 72.42 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.66 13.48 7.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.509 -0.853 . . . . 60.32 112.608 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -161.77 164.0 29.19 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.718 0.294 . . . . 75.32 110.715 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.4 -169.96 22.51 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.282 -0.485 . . . . 74.45 112.317 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.487 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.7 m-85 -137.56 151.96 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 71.52 111.105 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.564 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -150.15 109.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 74.15 111.08 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.7 m -94.75 119.76 33.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.704 -0.68 . . . . 72.12 109.706 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' THR . 46.4 m-85 -84.71 169.47 14.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.38 -0.373 . . . . 73.14 110.931 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.6 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 61.22 110.572 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.2 t -156.72 158.03 36.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.749 -0.659 . . . . 62.31 110.398 178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 27.3 m -58.31 -33.64 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 113.224 0.824 . . . . 73.4 113.224 -173.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.65 -21.07 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.674 -0.41 . . . . 74.32 111.681 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 11.5 mt-10 -74.41 -32.54 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.231 -0.655 . . . . 73.34 109.231 174.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.579 HG11 ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -63.57 -44.09 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.461 -0.791 . . . . 75.31 109.611 172.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.49 -46.99 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.454 -0.794 . . . . 70.12 110.414 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -40.1 79.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 71.01 111.398 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.16 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 73.2 111.036 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 45.5 mtt -69.02 -36.2 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.391 . . . . 65.12 110.5 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.72 -18.04 62.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.928 -0.578 . . . . 71.04 109.809 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.24 4.51 42.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.366 -0.834 . . . . 63.43 110.588 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 30.2 ttp180 -83.45 137.32 42.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 74.43 109.505 174.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 46.8 Cg_endo -66.83 128.01 9.11 Favored 'Cis proline' 0 C--N 1.344 0.326 0 C-N-CA 123.502 -1.457 . . . . 61.41 113.068 5.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.52 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 31.9 t-80 -84.89 167.52 15.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.428 -0.805 . . . . 73.11 109.934 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.512 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 4.1 tppp? -143.47 109.68 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.811 0.339 . . . . 73.43 110.977 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.6 p -138.65 128.98 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 63.21 109.86 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.512 ' OD2' ' HB2' ' A' ' 22' ' ' SER . 37.9 t70 65.14 28.1 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.634 0.73 . . . . 72.43 110.351 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.512 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 71.11 16.37 74.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.787 -0.721 . . . . 74.3 111.86 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.688 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 5.9 tpp180 -117.78 129.98 56.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.304 -0.258 . . . . 74.44 110.304 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -78.91 118.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 73.25 109.914 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 32.7 m -113.51 163.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 74.54 111.405 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.35 105.04 51.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 63.14 110.19 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 9.5 Cg_endo -88.59 114.29 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.322 2.682 . . . . 74.02 112.478 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -126.74 159.76 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.511 -0.313 . . . . 72.1 110.863 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.67 132.41 53.76 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.315 -0.254 . . . . 73.43 110.315 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.01 162.9 24.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 72.11 112.054 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.428 -0.806 . . . . 73.31 109.278 176.166 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.494 0.188 . . . . 74.34 110.772 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -51.39 -58.84 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 63.1 112.207 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -8.45 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.469 -0.492 . . . . 73.22 111.478 -171.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtm105 -91.51 -17.64 25.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.825 -0.435 . . . . 72.13 109.825 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -84.53 128.79 34.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.36 0.6 . . . . 75.14 109.835 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.591 ' HB3' HG22 ' A' ' 60' ' ' VAL . 9.7 tp -99.12 126.57 44.9 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.225 -0.898 . . . . 72.55 109.741 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -83.98 112.8 20.5 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.365 -0.606 . . . . 74.03 109.365 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mm -104.42 92.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.951 -0.568 . . . . 71.31 109.934 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.14 142.49 15.77 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.179 -1.01 . . . . 63.42 110.921 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 40.52 5.78 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.357 -0.925 . . . . 75.44 112.055 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -105.48 166.11 10.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.093 -0.706 . . . . 75.43 109.093 173.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.0 p -75.64 175.22 8.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 75.41 111.678 -170.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -85.8 2.19 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.274 0.559 . . . . 74.33 109.798 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -108.42 -10.68 15.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 75.44 109.704 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.584 ' HB ' HD11 ' A' ' 21' ' ' LEU . 58.6 m -64.57 126.37 27.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.757 -0.656 . . . . 64.0 109.918 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -131.82 165.79 23.04 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.144 -0.317 . . . . 73.13 110.144 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.3 m-20 -52.09 -40.84 61.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 71.12 111.647 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.35 -41.58 76.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 72.22 111.686 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 p -77.98 -31.27 50.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.145 -0.622 . . . . 75.24 109.535 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 HG21 ' A' ' 45' ' ' VAL . 18.2 tp -61.73 -46.03 91.41 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.744 -0.662 . . . . 74.34 109.494 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.0 ptm180 -66.94 -43.22 83.76 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.373 -0.531 . . . . 74.31 109.898 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -62.34 -33.04 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.823 0.344 . . . . 72.42 111.703 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.405 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 21.8 m80 -81.62 -15.97 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.859 0.318 . . . . 72.42 111.859 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' HB2' HD13 ' A' ' 40' ' ' LEU . 40.3 m-85 -112.23 -19.22 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.793 0.664 . . . . 63.13 112.793 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 41.4 mt-10 -77.34 13.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.463 0.649 . . . . 63.23 110.344 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' H ' ' C ' ' A' ' 34' ' ' PHE . 46.3 mt-30 -79.58 -37.44 36.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 72.14 110.751 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.405 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 24.4 m-90 -107.39 10.52 29.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.499 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.545 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.37 -165.99 38.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.075 -1.06 . . . . 39.47 113.442 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.1 m -115.53 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 122.569 0.348 . . . . 75.13 110.566 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 35.1 mt -92.96 109.91 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.206 0.527 . . . . 75.53 110.487 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.8 p -81.16 -17.79 48.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.499 -0.773 . . . . 74.01 110.094 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.529 ' HB3' ' HG1' ' A' ' 61' ' ' THR . 25.4 t70 -148.31 105.39 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 64.35 110.519 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.31 131.5 56.5 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 110.019 -0.363 . . . . 73.44 110.019 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.34 125.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 72.4 111.115 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG21 HD22 ' A' ' 30' ' ' LEU . 74.6 t -100.46 145.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.468 -0.568 . . . . 71.42 109.468 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.424 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 25.2 mmt . . . . . 0 C--N 1.322 -0.624 0 N-CA-C 109.865 -0.42 . . . . 70.31 109.865 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 121.008 0.432 . . . . 74.3 110.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.07 13.12 66.86 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.654 -0.784 . . . . 62.11 112.705 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 27.8 p90 -160.98 157.15 25.88 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.044 0.45 . . . . 72.03 111.2 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.71 -177.15 28.65 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.707 -0.679 . . . . 52.44 111.472 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -135.45 150.81 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.313 0.578 . . . . 73.42 111.311 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 111.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.203 -0.908 . . . . 74.32 110.618 -176.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -94.53 114.37 26.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.484 -0.78 . . . . 74.11 110.333 -176.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 39' ' ' THR . 64.9 m-85 -80.11 166.36 21.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.785 0.326 . . . . 74.25 110.907 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.12 -34.22 70.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.241 0.543 . . . . 73.23 110.016 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 67' ' ' GLU . 1.7 t -143.19 154.25 43.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.456 -0.793 . . . . 61.25 109.893 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -55.72 -26.07 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.41 111.569 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.37 -43.85 75.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.341 0.591 . . . . 74.41 110.91 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.9 mt-10 -71.47 -34.25 70.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 72.04 110.333 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 HG11 HD11 ' A' ' 16' ' ' LEU . 48.3 t -58.57 -48.47 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.551 -0.749 . . . . 73.21 110.285 174.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -57.61 -45.69 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.789 -0.641 . . . . 65.22 110.361 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.84 80.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 74.02 111.246 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.24 78.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.384 -0.371 . . . . 72.12 111.172 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.4 mtt -69.93 -31.47 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 74.24 110.725 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -80.98 -12.28 59.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 72.31 111.182 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.64 10.68 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.887 0.375 . . . . 75.15 111.741 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.64 ' HD3' ' HD2' ' A' ' 86' ' ' PRO . 87.2 mtm180 -75.42 157.74 84.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.396 -0.366 . . . . 72.13 110.825 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 21.0 Cg_exo -65.09 130.01 10.21 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.932 -1.278 . . . . 71.24 112.888 1.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -80.77 147.9 30.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 64.32 110.202 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.0 tppt? -131.89 112.59 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 74.35 110.528 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.5 t -124.82 119.35 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.249 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.75 25.04 14.04 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.537 0.684 . . . . 41.22 110.701 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.553 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 81.85 7.66 87.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.592 -0.813 . . . . 72.13 111.99 -177.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -113.39 125.73 54.57 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.493 0.317 . . . . 74.41 110.184 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.63 114.6 10.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.822 -0.436 . . . . 72.4 109.822 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -103.76 172.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.953 -0.567 . . . . 70.32 110.703 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 44.7 tt0 -126.43 105.88 24.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 74.13 109.675 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.64 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 10.5 Cg_endo -88.47 111.19 0.63 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.251 2.634 . . . . 70.14 112.403 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -121.29 159.25 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.941 -0.572 . . . . 72.31 110.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -60.77 131.82 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.097 -0.334 . . . . 74.24 110.097 177.276 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.05 141.7 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.37 0.605 . . . . 64.33 111.704 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.4 -0.818 . . . . 74.45 109.566 176.691 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.364 0 N-CA-C 109.857 -0.423 . . . . 74.04 109.857 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.7 tt0 -56.6 -57.56 11.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.047 -0.524 . . . . 63.04 111.633 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 13' ' ' LEU . 3.7 pp -74.1 -10.88 60.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.101 0.477 . . . . 73.42 110.836 -173.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -102.78 -6.57 22.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.96 -0.563 . . . . 74.51 110.537 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.2 ttmm -95.39 130.4 42.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.52 0.676 . . . . 72.23 110.888 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HB2' HG23 ' A' ' 60' ' ' VAL . 6.2 mt -97.19 131.06 44.29 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.094 -0.957 . . . . 73.35 110.478 174.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' HB3' ' HG2' ' A' ' 87' ' ' LYS . 14.7 t80 -90.53 115.27 27.54 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.044 -0.724 . . . . 73.21 109.044 175.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 mm -107.24 97.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.829 0.347 . . . . 72.41 110.31 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.95 143.98 15.77 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.139 -1.029 . . . . 60.53 112.425 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.04 47.58 5.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 74.41 112.761 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.64 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.7 pp -109.43 170.52 8.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.732 0.266 . . . . 73.12 110.318 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.6 p -73.03 164.93 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.204 0.526 . . . . 45.1 111.238 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.91 3.35 34.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.28 0.562 . . . . 75.32 109.969 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -104.08 -9.02 19.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.595 -0.73 . . . . 74.43 109.048 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.583 ' HB ' HD12 ' A' ' 21' ' ' LEU . 90.3 m -65.08 99.63 0.38 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.546 -0.752 . . . . 73.03 110.751 176.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 t -94.68 157.35 16.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.874 -0.603 . . . . 74.13 109.601 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.9 -42.59 59.42 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.628 0.58 . . . . 73.33 111.542 -174.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.34 -40.39 93.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 74.35 111.252 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.557 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 34.6 m -71.17 -38.72 72.15 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.443 -0.577 . . . . 64.4 109.443 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' A' ' 45' ' ' VAL . 2.9 tm? -61.46 -49.12 78.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.282 -0.872 . . . . 71.23 109.878 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptm180 -64.65 -40.43 95.44 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.588 -0.445 . . . . 75.52 110.284 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -59.59 -38.39 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 75.32 111.507 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' HD2' ' O ' ' A' ' 29' ' ' SER . 66.6 m-70 -78.45 -20.47 50.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.629 -0.26 . . . . 75.12 111.592 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' HB2' HD12 ' A' ' 40' ' ' LEU . 39.1 m-85 -103.2 -20.46 14.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.37 0.507 . . . . 74.11 112.37 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 81.2 mt-10 -75.99 13.42 0.87 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.066 0.46 . . . . 75.23 110.989 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.7 mt-30 -90.79 -25.34 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 72.12 111.106 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.543 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.0 m-90 -112.84 13.33 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 73.44 110.274 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.77 -166.03 39.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.528 -0.844 . . . . 61.12 112.952 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 53.8 m -115.87 120.95 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.472 0.309 . . . . 61.35 110.355 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 60' ' ' VAL . 31.0 mt -90.71 106.52 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.391 -0.524 . . . . 74.14 110.736 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.6 p -75.29 -28.48 59.76 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 73.32 109.347 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.607 ' HB3' ' HG1' ' A' ' 61' ' ' THR . 19.9 t70 -139.91 98.99 3.58 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.762 -1.108 . . . . 73.22 110.275 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.08 132.98 55.21 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.7 -0.481 . . . . 74.42 109.7 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.81 129.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.296 0.569 . . . . 74.45 111.382 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG22 ' HG ' ' A' ' 30' ' ' LEU . 54.1 t -92.72 131.78 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.487 -0.931 . . . . 73.41 108.487 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 mmt . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 121.792 0.806 . . . . 73.25 110.115 -179.374 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 N--CA 1.457 -0.114 0 N-CA-C 112.332 0.493 . . . . 71.43 112.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.51 10.89 18.68 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.056 -1.068 . . . . 73.03 112.48 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.44 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 7.1 p90 -162.06 161.29 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.138 -0.319 . . . . 74.21 110.138 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 45' ' ' VAL . . . -162.26 -167.71 23.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.946 -0.645 . . . . 64.55 112.764 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -134.95 156.8 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 74.14 111.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.98 109.95 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-N 115.723 -0.671 . . . . 74.2 111.142 178.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.607 ' HG1' ' HB3' ' A' ' 42' ' ' ASP . 6.0 m -93.93 115.33 27.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.768 -0.651 . . . . 74.13 109.34 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' HE2' HD11 ' A' ' 16' ' ' LEU . 47.6 m-85 -82.61 171.56 13.92 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.268 -0.423 . . . . 74.22 110.344 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.53 63.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 54.03 109.786 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.499 HG23 ' HG2' ' A' ' 66' ' ' GLU . 9.3 t -161.83 174.62 12.91 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 73.42 110.388 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.12 -36.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.798 0.666 . . . . 74.43 112.798 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HG2' HG23 ' A' ' 64' ' ' THR . 2.9 pm0 -62.76 -19.61 64.15 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.901 0.334 . . . . 74.13 111.901 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.2 mt-10 -80.08 -42.83 22.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.765 -0.458 . . . . 74.44 109.765 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' HG ' ' A' ' 16' ' ' LEU . 26.4 t -56.54 -45.35 82.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 72.24 110.123 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.55 -45.19 73.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.313 -0.858 . . . . 64.11 110.931 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.42 87.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 62.44 110.942 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.11 69.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.294 -0.412 . . . . 73.13 110.602 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.442 ' HE1' ' HD3' ' A' ' 88' ' ' ARG . 40.1 mtt -72.32 -36.64 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.299 -0.409 . . . . 72.43 110.039 176.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.67 -9.26 57.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.068 -0.515 . . . . 72.51 110.526 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -1.33 57.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.849 -0.614 . . . . 73.54 110.608 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.624 ' HG3' ' HA ' ' A' ' 76' ' ' PRO . 43.5 ttp180 -74.03 139.92 76.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 75.11 110.092 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.624 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . 52.7 Cg_endo -68.55 123.86 6.49 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.477 -1.468 . . . . 63.21 112.896 2.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.521 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 23.9 t-80 -75.45 161.15 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 75.31 109.739 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -143.44 111.94 6.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.417 -0.356 . . . . 72.53 110.044 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -136.81 128.95 44.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.998 -0.546 . . . . 63.34 110.337 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 t70 64.07 19.82 11.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.558 -0.746 . . . . 75.34 110.711 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.66 15.52 73.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.849 -0.691 . . . . 72.54 112.176 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.64 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.8 tpt180 -119.79 132.71 55.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 75.33 110.506 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.16 122.28 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.3 109.861 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -120.36 164.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.103 0.477 . . . . 74.32 111.626 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -117.84 107.74 43.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.481 -0.781 . . . . 64.2 109.884 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -91.04 115.72 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.185 2.59 . . . . 75.03 112.309 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.505 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 18.5 ptpt -121.62 160.42 24.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 63.4 110.728 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.442 ' HD3' ' HE1' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.58 119.41 7.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.54 -0.541 . . . . 74.43 109.54 176.11 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 15' ' ' LYS . . . -74.26 130.64 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.124 0.488 . . . . 62.53 111.073 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.962 -0.563 . . . . 73.32 109.865 175.741 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' HG2' ' HE2' ' A' ' 15' ' ' LYS . 45.0 tt0 . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 110.563 -0.162 . . . . 63.15 110.563 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -60.34 -30.97 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.29 0.567 . . . . 73.43 110.255 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.32 -41.04 77.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.592 -0.731 . . . . 74.52 110.488 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -90.97 -5.0 56.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.212 -0.904 . . . . 72.1 111.161 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' ' HG2' ' A' ' 11' ' ' GLU . 23.6 ttmm -96.49 131.99 42.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.014 -0.539 . . . . 74.41 109.871 -177.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 60' ' ' VAL . 7.6 tp -100.1 128.48 46.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.418 -0.81 . . . . 72.21 109.953 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 26.7 t80 -85.9 117.73 24.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.168 -0.679 . . . . 73.22 109.168 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 9.7 mm -107.95 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.61 -0.268 . . . . 74.25 110.337 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.32 140.43 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.861 . . . . 72.01 110.946 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.53 1.77 26.02 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.344 -0.931 . . . . 61.32 112.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 25' ' ' THR . 3.4 pp -82.46 163.03 21.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 73.21 111.114 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.7 p -77.83 177.71 7.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 74.31 111.304 -172.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -85.76 2.66 44.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 74.33 109.837 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.81 -9.53 18.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 65.14 109.862 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 21' ' ' LEU . 37.2 m -71.85 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.438 -0.801 . . . . 71.04 111.032 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 t -84.88 161.9 19.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 74.54 110.311 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.3 p-10 -59.01 -42.97 91.4 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.037 0.446 . . . . 62.41 111.252 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.19 -42.21 98.17 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.513 -0.767 . . . . 72.42 111.383 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.541 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 32.6 t -70.08 -39.13 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.251 -0.648 . . . . 63.43 109.251 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD23 ' CG2' ' A' ' 25' ' ' THR . 2.4 tm? -63.59 -44.06 95.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 74.32 109.525 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 20.3 ptt85 -67.27 -39.13 86.03 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.766 -0.374 . . . . 75.11 110.127 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -60.66 -34.89 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 75.21 110.927 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.541 ' HD2' ' O ' ' A' ' 29' ' ' SER . 62.3 m-70 -81.17 -28.31 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.603 -0.271 . . . . 73.13 111.523 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 40.4 m-85 -95.54 -15.89 22.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.495 0.554 . . . . 75.24 112.495 -177.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 64.9 mt-10 -80.4 10.43 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 75.14 110.673 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -82.84 -36.23 25.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.618 -0.719 . . . . 72.3 111.028 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -106.0 1.73 26.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.696 0.284 . . . . 74.02 110.968 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -179.2 174.13 46.12 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.019 -1.086 . . . . 53.23 113.24 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 66.3 m -93.69 126.63 38.97 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.571 0.348 . . . . 71.23 110.74 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 60' ' ' VAL . 25.8 mt -98.07 111.02 23.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 73.03 110.27 175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -83.12 -21.96 33.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.426 0.631 . . . . 65.51 109.984 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 31.5 t70 -141.23 102.7 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.382 -0.826 . . . . 74.1 110.328 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.3 p -112.59 128.71 56.44 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.388 -0.369 . . . . 75.33 110.017 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.77 131.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.288 0.566 . . . . 72.15 110.968 -177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 27' ' ' ASP . 54.4 t -115.69 135.53 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.999 -0.546 . . . . 73.44 109.761 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.972 -0.558 . . . . 74.22 110.172 -177.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 N--CA 1.46 0.059 0 N-CA-C 111.834 0.309 . . . . 72.24 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.45 5.92 74.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.564 -0.826 . . . . 70.43 112.59 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.46 161.37 37.43 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.991 0.424 . . . . 72.52 111.312 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 -178.98 31.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.512 -0.767 . . . . 72.03 111.455 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.529 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.4 m-85 -134.47 148.74 50.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 75.44 111.18 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.605 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -143.96 111.49 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.42 -0.809 . . . . 73.23 111.104 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.1 m -90.75 115.4 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 74.5 109.343 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 65.1 m-85 -81.78 164.06 21.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 75.13 110.736 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.682 -0.69 . . . . 74.32 110.801 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 67' ' ' GLU . 3.0 t -160.07 163.21 34.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.417 -0.811 . . . . 74.44 109.834 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.59 -28.44 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 63.45 111.259 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.72 -34.29 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 74.44 111.108 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.0 mm-40 -68.97 -39.11 79.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.815 -0.629 . . . . 73.32 109.834 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG11 HD13 ' A' ' 16' ' ' LEU . 36.3 t -60.64 -44.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.158 -0.928 . . . . 75.32 111.196 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.52 -46.06 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.406 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.551 -0.295 . . . . 74.12 111.08 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.83 89.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.18 -0.464 . . . . 55.12 111.034 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.1 mtt -66.97 -37.04 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.363 -0.381 . . . . 73.02 110.676 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 84.2 m-20 -69.15 -17.02 63.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 75.2 110.898 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.33 23.98 1.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 71.31 111.346 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -72.35 146.65 89.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 75.33 110.224 178.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.52 130.37 18.21 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.694 -1.378 . . . . 72.24 111.425 -2.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.036 -0.529 . . . . 74.45 110.364 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -141.2 103.52 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.367 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 130.46 71.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.976 -0.556 . . . . 75.43 109.906 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.35 28.24 17.73 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.699 0.762 . . . . 73.3 109.859 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.99 17.81 72.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 73.14 111.905 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -114.71 135.83 53.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.232 -0.284 . . . . 63.33 110.232 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.35 121.27 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.931 -0.396 . . . . 75.22 109.931 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -117.52 170.27 7.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.009 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.1 mt-10 -118.65 107.82 42.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.941 -0.572 . . . . 75.25 109.804 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.493 ' HB2' HD22 ' A' ' 16' ' ' LEU . 18.8 Cg_endo -89.55 106.14 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 123.064 2.509 . . . . 72.43 111.826 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.758 ' HZ1' ' HB3' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -118.85 167.6 11.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.879 -175.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.32 141.69 58.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.997 -0.372 . . . . 75.21 109.997 177.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.07 143.3 27.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.178 0.513 . . . . 70.3 111.702 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 109.028 -0.73 . . . . 73.54 109.028 174.421 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.223 -0.34 0 CA-C-O 120.393 0.14 . . . . 73.04 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.15 -28.76 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.031 0.443 . . . . 70.22 110.968 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.49 0.662 . . . . 63.33 110.186 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -85.39 -6.29 59.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.904 -1.044 . . . . 70.04 110.618 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.8 ttmm -99.63 134.92 41.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.465 0.65 . . . . 73.04 110.62 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.572 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.71 134.18 42.98 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.081 -0.963 . . . . 75.11 110.863 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -93.71 111.83 23.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.868 -0.79 . . . . 63.24 108.868 173.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 16' ' ' LEU . 13.1 mm -105.88 98.38 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.368 -0.378 . . . . 74.21 110.164 -175.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.77 144.17 16.74 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.02 -1.086 . . . . 65.24 112.177 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.73 43.73 5.99 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.761 -0.733 . . . . 65.14 112.584 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -105.7 165.2 11.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 74.5 111.129 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.3 t -59.93 149.96 30.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 73.02 110.945 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.13 -12.02 61.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.155 0.502 . . . . 64.4 110.378 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.55 -7.73 49.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.329 0.585 . . . . 72.31 109.903 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.572 ' HB ' HD13 ' A' ' 21' ' ' LEU . 87.1 m -75.41 96.17 3.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.452 -0.795 . . . . 73.51 110.857 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.414 HG21 ' HG2' ' A' ' 28' ' ' GLU . 9.6 t -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.607 -0.724 . . . . 72.3 109.443 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.8 p-10 -52.3 -45.66 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.88 0.472 . . . . 44.15 111.985 -171.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' HG2' HG21 ' A' ' 26' ' ' THR . 11.5 pt-20 -63.99 -34.69 78.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.798 -0.637 . . . . 72.03 111.701 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -79.5 -35.97 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.729 -0.841 . . . . 73.24 108.729 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD21 HG22 ' A' ' 25' ' ' THR . 2.9 tm? -64.96 -43.07 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.067 . . . . 72.15 109.551 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.8 ptm180 -66.71 -42.2 86.74 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.739 -0.384 . . . . 74.33 109.995 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.92 -27.12 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.52 111.329 -176.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -79.48 -48.38 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.375 . . . . 73.53 110.678 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 40' ' ' LEU . 29.1 m-85 -75.94 -18.81 59.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.369 0.507 . . . . 74.5 112.369 -174.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.3 mt-10 -75.74 11.88 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 74.23 111.084 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 43.7 mt-30 -85.47 -30.19 23.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.101 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 22.0 m-90 -108.33 14.29 24.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 75.01 110.273 -177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.79 -159.97 32.73 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.608 -0.806 . . . . 74.05 112.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 m -122.85 124.77 44.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.652 0.263 . . . . 72.22 110.662 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD23 ' HB ' ' A' ' 60' ' ' VAL . 26.1 mt -91.43 104.3 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 70.0 110.431 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.9 p -71.8 -23.2 61.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.833 0.825 . . . . 71.51 109.393 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.595 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 24.7 t70 -142.24 125.07 16.03 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.739 -1.118 . . . . 52.05 109.44 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.4 p -144.22 131.29 20.53 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.992 0.425 . . . . 73.5 110.371 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 p -164.55 138.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 73.55 110.857 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG13 ' HA ' ' A' ' 27' ' ' ASP . 34.0 m -108.43 151.28 10.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.762 -0.829 . . . . 75.03 108.762 172.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 109.114 -0.699 . . . . 64.32 109.114 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mmt180 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.694 0.283 . . . . 72.11 110.971 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.61 18.17 49.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 74.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 22.0 p90 -170.85 161.94 7.34 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.41 -0.218 . . . . 73.34 110.41 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.36 -171.64 25.45 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.078 -0.582 . . . . 72.11 112.69 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -133.46 153.66 51.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 75.13 110.806 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.18 112.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 75.51 111.662 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.0 m -98.48 116.0 29.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.588 -0.733 . . . . 72.12 109.477 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.408 ' HE2' HD11 ' A' ' 16' ' ' LEU . 47.3 m-85 -80.24 176.49 9.72 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.126 0.489 . . . . 74.13 111.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.3 64.39 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.769 -0.65 . . . . 75.1 109.791 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.423 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.6 t -148.94 163.88 36.17 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.579 -0.737 . . . . 74.35 110.733 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.743 HG21 HH21 ' A' ' 88' ' ' ARG . 2.7 p -59.75 -32.03 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 73.5 111.528 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.89 -38.68 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 75.52 111.542 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 27.3 mt-10 -72.16 -36.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 73.44 110.686 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 72' ' ' MET . 21.0 t -59.02 -46.29 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.023 -0.535 . . . . 71.3 110.549 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.44 -41.26 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 74.52 110.932 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.53 87.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.726 0.298 . . . . 71.1 110.789 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.49 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.115 0.483 . . . . 74.44 110.449 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.453 ' HE3' ' HD3' ' A' ' 88' ' ' ARG . 35.0 mtt -70.13 -38.5 75.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.482 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -69.33 -16.13 63.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 74.23 110.857 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.19 -2.17 47.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 75.0 110.941 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 73.5 ttt180 -67.72 141.61 95.15 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.072 -0.513 . . . . 74.42 109.912 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 2.8 Cg_exo -71.93 117.47 3.79 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.903 -1.29 . . . . 72.14 112.52 4.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.636 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 25.0 t-80 -75.21 133.06 41.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.206 -0.906 . . . . 75.51 110.142 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -117.85 110.27 17.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.655 0.264 . . . . 72.4 110.359 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.78 124.39 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.673 -0.24 . . . . 64.14 110.805 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 67.82 -58.31 0.44 Allowed 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.254 0.971 . . . . 71.2 111.179 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.84 33.62 0.03 OUTLIER Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.714 -1.355 . . . . 53.3 109.714 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -148.53 121.83 9.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.483 -0.859 . . . . 74.32 109.34 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 1.3 p -78.27 119.43 27.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.523 0.678 . . . . 62.34 110.586 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 21' ' ' LEU . 24.6 m -99.95 -178.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.972 -1.013 . . . . 73.52 111.554 -171.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -127.63 104.11 21.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.382 -0.826 . . . . 60.15 109.443 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -90.55 106.27 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.026 2.484 . . . . 75.31 112.459 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -113.98 165.47 12.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.629 . . . . 62.4 110.537 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.743 HH21 HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -67.51 139.95 57.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.547 -0.297 . . . . 75.02 110.333 176.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.74 150.18 37.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.35 0.595 . . . . 74.3 111.032 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.339 -0.846 . . . . 74.3 108.952 178.558 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.154 0 CA-C-O 121.911 0.862 . . . . 73.22 109.205 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.3 -51.1 71.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.56 -1.2 . . . . 75.33 110.66 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.92 -14.65 44.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.734 0.302 . . . . 74.11 111.159 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -93.81 -4.31 50.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 73.21 110.683 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.0 ttmp? -97.7 130.76 44.66 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.876 -0.602 . . . . 74.52 110.406 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.577 ' HB2' HG12 ' A' ' 60' ' ' VAL . 6.1 mt -98.43 130.79 45.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 73.24 110.371 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.454 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 17.4 t80 -90.33 110.14 21.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.793 -0.639 . . . . 74.22 109.315 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG21 HD23 ' A' ' 21' ' ' LEU . 15.8 mm -105.81 102.27 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-O 120.963 0.411 . . . . 71.53 110.373 -176.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.52 149.2 18.65 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.165 -1.017 . . . . 43.03 112.248 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 32.78 24.59 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.811 -0.709 . . . . 61.43 112.596 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.5 pp -96.46 168.11 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 72.34 111.649 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 30.9 t -60.73 145.04 50.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.323 -0.853 . . . . 61.52 110.727 -178.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.26 -5.33 38.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.097 0.475 . . . . 75.32 110.341 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -103.24 3.9 36.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.635 -0.711 . . . . 75.15 109.477 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.583 ' HB ' HD13 ' A' ' 21' ' ' LEU . 88.5 m -84.95 101.09 12.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.08 -0.963 . . . . 64.31 110.136 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' HG22 ' A' ' 45' ' ' VAL . 14.2 t -107.76 -172.46 2.07 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.734 -0.469 . . . . 62.05 109.734 176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -45.11 -58.36 3.28 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 123.411 0.684 . . . . 74.31 112.225 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.55 -40.15 96.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.99 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -65.59 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.196 0.522 . . . . 72.15 109.884 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.461 HD22 HG12 ' A' ' 45' ' ' VAL . 29.3 tp -76.95 -48.52 17.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.627 -0.715 . . . . 74.53 110.328 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 40' ' ' LEU . 5.0 ptp180 -63.87 -40.42 96.51 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.698 -0.401 . . . . 73.5 110.609 -174.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -66.07 -31.48 72.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.676 0.25 . . . . 61.25 111.676 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.53 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 18.6 m80 -89.85 -4.27 57.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.7 -0.4 . . . . 74.2 111.78 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 36' ' ' GLN . 32.0 m-85 -112.92 -21.38 11.16 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 73.4 111.863 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 40.2 mt-10 -73.58 11.08 0.88 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.967 0.413 . . . . 64.34 111.221 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 34' ' ' PHE . 14.1 mt-30 -90.91 -18.64 24.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 75.42 110.91 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.53 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -118.83 15.51 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.216 0.531 . . . . 74.24 109.997 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.485 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.58 -170.5 38.17 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.139 -1.029 . . . . 43.01 113.505 177.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -107.94 123.86 49.27 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 122.761 0.424 . . . . 73.44 110.471 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.576 ' HG ' ' HG2' ' A' ' 35' ' ' GLU . 8.8 mt -92.36 109.04 20.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.066 -0.654 . . . . 74.33 110.435 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 p -78.4 -30.49 47.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.917 -0.583 . . . . 75.43 109.439 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 13.1 m-20 -140.12 92.4 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 74.33 111.12 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -109.62 137.61 47.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.709 -0.678 . . . . 71.4 109.176 175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -164.8 146.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.919 -0.313 . . . . 75.54 110.695 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 HD22 ' A' ' 30' ' ' LEU . 34.2 m -117.17 156.63 18.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.152 -0.314 . . . . 74.43 110.152 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 C--N 1.322 -0.61 0 N-CA-C 109.504 -0.554 . . . . 73.03 109.504 178.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.698 0.285 . . . . 74.32 111.534 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.49 18.69 70.43 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 43.04 112.966 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.456 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 3.3 p90 -167.07 157.92 11.82 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.852 0.358 . . . . 62.42 110.424 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.47 -172.61 29.06 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 116.163 -0.472 . . . . 72.34 111.978 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.454 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 96.0 m-85 -132.92 151.26 52.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.696 . . . . 75.2 111.549 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.577 HG12 ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -143.49 107.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.917 -1.038 . . . . 70.35 110.174 -178.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 11.0 m -100.44 113.76 26.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.686 -0.688 . . . . 74.12 110.064 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.441 ' HE2' HD11 ' A' ' 16' ' ' LEU . 62.5 m-85 -80.28 174.22 11.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.048 -0.524 . . . . 70.44 110.753 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.91 -34.11 62.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.214 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 66' ' ' GLU . 3.8 t -147.38 158.37 43.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.643 -0.708 . . . . 73.31 110.234 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.24 -32.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.698 . . . . 75.23 112.803 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 64' ' ' THR . 11.4 pt-20 -63.31 -28.46 70.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.793 0.33 . . . . 73.13 111.201 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -74.27 -40.29 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.24 109.896 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.461 HG12 ' HG ' ' A' ' 16' ' ' LEU . 24.8 t -57.81 -45.28 87.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 75.12 109.742 172.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.28 -41.07 92.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.319 -0.855 . . . . 73.23 110.871 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.3 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 70.0 110.878 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.63 74.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 63.13 110.411 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.511 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 27.7 mtt -69.56 -33.95 73.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.55 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.55 -18.27 62.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.065 0.459 . . . . 72.4 110.383 175.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.25 4.93 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.879 -0.601 . . . . 74.45 111.746 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.583 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 9.1 ptm180 -80.73 155.45 73.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.923 -0.399 . . . . 74.25 109.923 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.583 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 27.9 Cg_endo -62.22 128.19 5.54 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.472 -1.47 . . . . 73.01 112.277 0.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.506 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 27.3 t-80 -78.24 156.55 29.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 72.41 110.084 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -140.0 112.34 7.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.143 -0.48 . . . . 71.41 109.931 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.46 131.01 65.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.29 -0.413 . . . . 74.31 110.359 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 32.1 t70 69.1 -57.89 0.51 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.279 0.987 . . . . 64.11 110.935 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 170.07 29.58 0.02 OUTLIER Glycine 0 C--N 1.315 -0.617 0 N-CA-C 110.561 -1.015 . . . . 74.53 110.561 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -136.36 133.26 36.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.271 -0.465 . . . . 75.01 110.259 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 65.5 t -77.01 122.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.628 -0.508 . . . . 74.33 109.628 174.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.484 HG12 ' HB3' ' A' ' 21' ' ' LEU . 33.1 m -119.02 167.65 12.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 75.13 111.648 -175.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -117.76 106.94 45.17 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.404 -0.817 . . . . 74.1 109.488 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -92.43 106.21 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.122 2.548 . . . . 71.42 112.168 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.436 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 9.3 ptpp? -113.14 156.99 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.434 -0.348 . . . . 73.54 110.827 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.92 126.55 27.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 73.45 109.555 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 15' ' ' LYS . . . -78.69 147.99 33.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.288 0.566 . . . . 72.5 111.836 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.375 -0.829 . . . . 73.41 109.341 175.383 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--O 1.226 -0.141 0 CA-C-O 120.744 0.307 . . . . 73.51 110.424 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -56.36 -58.4 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 71.51 111.849 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -80.36 -7.84 59.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.273 . . . . 75.35 111.64 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -103.32 -2.24 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.037 0.446 . . . . 74.5 110.681 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.565 ' HZ3' ' HB3' ' A' ' 15' ' ' LYS . 7.2 ttpm? -103.11 135.17 45.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.811 -0.631 . . . . 73.32 110.09 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HB3' HG22 ' A' ' 60' ' ' VAL . 8.4 tp -105.13 128.59 53.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.731 -0.668 . . . . 74.33 110.201 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -87.86 120.19 28.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.922 -0.581 . . . . 75.14 109.508 175.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.546 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.1 mm -111.94 93.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.374 -0.376 . . . . 73.52 110.142 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 146.61 16.54 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.156 -1.021 . . . . 71.53 111.849 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.95 23.03 21.61 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.779 . . . . 61.12 112.534 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 ' HB ' ' A' ' 25' ' ' THR . 3.0 pp -91.54 164.54 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.173 -0.306 . . . . 73.1 110.173 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 m -75.33 164.33 26.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.298 -0.41 . . . . 70.12 111.185 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -76.49 -5.61 48.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.607 0.718 . . . . 61.41 109.586 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.32 -17.6 32.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.703 -1.135 . . . . 70.24 109.436 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.566 ' HB ' HD11 ' A' ' 21' ' ' LEU . 94.6 m -74.46 115.02 13.52 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.121 -0.945 . . . . 71.44 110.771 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.481 HG21 ' HG2' ' A' ' 28' ' ' GLU . 5.3 t -118.35 171.56 8.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.318 -0.856 . . . . 74.35 109.389 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -48.09 43.27 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.605 0.362 . . . . 74.54 111.653 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.481 ' HG2' HG21 ' A' ' 26' ' ' THR . 13.3 pt-20 -64.65 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 70.43 111.533 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 89.5 p -82.62 -29.13 30.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.218 -0.593 . . . . 65.01 109.765 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.21 -52.13 20.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.942 -0.572 . . . . 74.02 109.815 -177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 3.8 ptm180 -67.38 -38.43 84.72 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.475 -0.49 . . . . 74.42 110.761 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -62.01 -32.43 72.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.698 0.285 . . . . 74.34 111.162 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.427 ' HD2' ' O ' ' A' ' 29' ' ' SER . 51.8 m-70 -72.41 -44.54 62.32 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.894 -0.322 . . . . 71.12 110.522 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 50.4 m-85 -80.13 -13.08 59.55 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.49 0.552 . . . . 74.35 112.49 -175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 34.5 mt-10 -76.74 3.3 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.073 0.463 . . . . 74.02 111.124 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.4 mt-30 -80.08 -33.7 38.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.841 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.3 m-90 -105.83 10.49 32.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.334 -0.394 . . . . 75.3 110.553 -178.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.574 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 168.11 -174.83 42.99 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.093 -1.051 . . . . 65.11 113.497 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.7 m -108.89 120.8 43.59 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 122.536 0.334 . . . . 64.33 110.466 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.592 HD23 ' HB ' ' A' ' 60' ' ' VAL . 28.0 mt -89.56 103.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.016 0.436 . . . . 72.32 110.341 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.7 p -71.33 -28.72 64.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.639 -0.709 . . . . 63.01 109.969 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.537 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 33.5 t70 -139.08 107.64 5.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 75.34 110.247 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 31.3 p -113.65 149.6 34.4 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.815 -0.439 . . . . 53.5 109.815 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -173.19 140.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.214 0.53 . . . . 74.31 111.018 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -120.61 139.72 47.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.579 . . . . 75.22 109.779 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.525 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 1.2 mpt? . . . . . 0 C--N 1.315 -0.919 0 CA-C-N 116.092 -0.503 . . . . 75.34 110.275 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' A' ' 46' ' ' MET . 62.6 mtt180 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.604 0.24 . . . . 74.15 111.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.55 16.7 59.79 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.31 -0.948 . . . . 74.21 112.262 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -164.2 161.25 22.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.02 0.438 . . . . 73.3 110.951 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.39 -176.84 31.9 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.525 -0.762 . . . . 71.44 111.315 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -135.04 152.46 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.197 0.522 . . . . 54.43 111.242 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.592 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -146.59 113.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.367 -0.833 . . . . 71.42 110.846 -179.435 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.537 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 27.8 m -97.01 121.6 39.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.588 -0.733 . . . . 72.45 109.417 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.38 173.53 10.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.123 0.487 . . . . 73.42 111.288 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -38.52 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 74.2 109.469 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 67' ' ' GLU . 1.5 t -141.29 156.19 45.9 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.643 -0.708 . . . . 75.55 109.869 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.91 -22.72 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 72.31 111.0 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.96 -38.51 76.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 70.42 110.497 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.6 mt-10 -74.13 -38.41 63.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.765 -0.652 . . . . 73.14 110.417 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 16' ' ' LEU . 31.4 t -54.97 -45.84 76.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.792 -0.64 . . . . 74.15 110.545 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.65 -46.3 87.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 74.31 110.721 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.08 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.251 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.11 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 64.23 110.904 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.527 ' HE2' ' HD3' ' A' ' 88' ' ' ARG . 38.7 mtt -68.35 -41.26 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 72.51 110.531 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.42 -14.25 62.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.265 -0.425 . . . . 73.24 110.864 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.6 18.88 2.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.966 -0.561 . . . . 71.05 111.536 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -83.5 150.84 60.93 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.232 -0.284 . . . . 75.15 110.232 177.209 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 14.5 Cg_exo -68.81 120.9 4.56 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.568 -1.43 . . . . 62.12 111.494 -2.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.525 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 43.1 t-80 -72.68 142.3 48.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.217 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.82 115.37 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.896 0.379 . . . . 73.22 110.841 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG23 ' CE2' ' A' ' 34' ' ' PHE . 86.3 t -127.43 122.77 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 74.45 109.849 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 25' ' ' THR . 3.2 m-20 63.39 22.56 13.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.781 0.432 . . . . 61.51 111.651 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.97 14.35 79.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 64.21 111.739 -176.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -115.98 129.94 56.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.909 -0.404 . . . . 74.55 109.909 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.11 106.33 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.896 0.379 . . . . 71.54 110.14 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.7 m -95.75 178.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.294 -0.412 . . . . 64.32 110.528 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.88 95.04 17.65 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 61.13 110.051 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.454 ' HB2' HD23 ' A' ' 16' ' ' LEU . 69.7 Cg_endo -81.56 120.59 3.58 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.836 2.357 . . . . 74.32 112.284 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -134.26 164.51 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.58 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.527 ' HD3' ' HE2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.94 118.29 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 74.21 109.542 177.212 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' CB ' ' HE2' ' A' ' 15' ' ' LYS . . . -76.97 104.94 7.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 52.31 111.757 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 115.377 -0.829 . . . . 75.21 110.65 177.085 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.513 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.966 0.412 . . . . 75.32 110.174 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -51.74 -61.0 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.454 -0.793 . . . . 73.44 112.145 176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HG ' HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -81.75 -6.78 59.35 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.703 -0.399 . . . . 73.1 111.143 -172.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -94.57 -10.98 30.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.231 0.538 . . . . 73.2 109.656 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -95.03 139.42 31.41 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.503 -0.771 . . . . 74.11 109.715 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 60' ' ' VAL . 7.6 tp -110.12 128.06 55.24 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.436 -0.802 . . . . 65.22 109.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -84.65 109.48 18.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 74.34 109.477 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mm -106.43 103.21 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.055 -0.521 . . . . 75.2 110.466 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.49 157.86 15.3 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.066 -1.064 . . . . 70.21 111.864 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.81 38.15 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.65 -0.785 . . . . 38.77 112.086 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.7 pp -96.14 -179.92 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 73.12 110.986 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -81.59 151.9 27.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.658 -0.701 . . . . 73.45 110.818 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.04 -6.99 49.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 74.55 110.148 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 14.8 mt-10 -92.15 -9.82 41.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.391 -0.822 . . . . 72.12 109.062 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.572 ' HB ' HD13 ' A' ' 21' ' ' LEU . 28.5 m -74.46 114.03 12.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.185 -0.916 . . . . 71.24 109.993 175.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -119.92 -178.06 3.56 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 74.13 109.398 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.73 -51.26 29.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.139 0.422 . . . . 74.41 112.139 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.73 -36.62 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.392 -0.367 . . . . 63.34 111.216 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -70.07 -37.6 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.311 0.577 . . . . 73.14 109.57 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.34 -53.47 35.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.257 -0.883 . . . . 74.23 109.707 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.1 ptm180 -67.64 -42.0 82.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.276 -0.57 . . . . 74.25 110.953 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 m -64.18 -35.14 79.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.774 0.321 . . . . 75.05 111.486 -176.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.486 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 14.0 m80 -79.87 -12.98 59.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.522 -0.308 . . . . 72.43 111.721 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' HG23 ' A' ' 79' ' ' VAL . 27.2 m-85 -108.58 -21.69 12.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.542 0.571 . . . . 74.45 112.542 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.557 ' HG2' HD12 ' A' ' 40' ' ' LEU . 48.5 mt-10 -75.15 15.01 0.47 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.117 0.484 . . . . 75.12 111.215 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 34' ' ' PHE . 44.0 mt-30 -87.12 -32.87 19.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.918 -0.583 . . . . 73.43 110.692 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.2 m-90 -104.25 11.09 35.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.897 -0.592 . . . . 74.14 110.602 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.506 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.19 -166.97 39.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.416 -0.897 . . . . 62.24 112.689 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 121.9 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.371 0.269 . . . . 73.31 110.42 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.4 mp -90.47 114.64 26.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.47 -0.492 . . . . 73.33 109.883 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.89 -24.26 35.8 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.658 0.742 . . . . 75.14 109.374 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.589 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 6.8 m-20 -141.95 130.26 22.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.509 -1.223 . . . . 72.43 108.935 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.9 p -144.99 142.6 29.94 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.159 -0.682 . . . . 64.3 109.159 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.92 152.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.317 0.579 . . . . 73.21 111.737 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.34 140.3 45.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.046 -1.094 . . . . 74.43 108.046 169.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.058 -0.719 . . . . 75.12 109.058 177.148 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.813 ' HE ' ' HE2' ' A' ' 57' ' ' PHE . 5.7 mtp180 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.684 0.278 . . . . 73.54 110.953 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.09 19.39 72.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.31 113.384 174.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.813 ' HE2' ' HE ' ' A' ' 55' ' ' ARG . 15.8 p90 -166.14 161.36 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 74.13 110.266 176.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.36 -168.05 20.05 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.161 -0.542 . . . . 64.14 112.223 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.88 153.96 50.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.242 0.544 . . . . 71.33 110.773 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.705 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.0 p -147.15 124.72 3.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.35 -0.841 . . . . 75.52 110.044 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 6.8 m -115.98 117.86 31.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.405 -0.361 . . . . 75.42 110.268 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 70.1 m-85 -83.99 172.69 11.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.029 -0.532 . . . . 75.25 110.698 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.44 65.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.502 0.667 . . . . 73.03 109.815 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.468 HG22 ' HG3' ' A' ' 67' ' ' GLU . 4.2 t -148.57 155.36 41.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.939 -1.028 . . . . 70.44 109.493 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG11 ' HG ' ' A' ' 13' ' ' LEU . 31.1 m -64.78 -18.65 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.283 -0.417 . . . . 74.32 111.846 -176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -63.55 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.457 . . . . 72.54 110.485 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.8 mt-10 -77.96 -33.92 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.959 -0.564 . . . . 72.0 109.651 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.455 HG11 HD12 ' A' ' 16' ' ' LEU . 16.2 t -59.28 -44.96 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.532 -0.758 . . . . 74.3 110.106 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.52 -45.76 84.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 64.31 110.5 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.43 89.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.173 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.91 85.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 71.13 110.884 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 42.0 mtt -64.3 -45.12 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.085 0.469 . . . . 70.24 110.511 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -69.75 -12.69 61.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 75.41 110.981 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.84 -6.07 59.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 75.33 111.172 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.63 ' HG2' ' HA ' ' A' ' 76' ' ' PRO . 7.0 tmm_? -56.53 138.74 75.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 74.12 110.506 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.63 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 10.6 Cg_exo -71.14 126.74 10.99 Favored 'Cis proline' 0 C--N 1.35 0.628 0 C-N-CA 123.839 -1.317 . . . . 63.04 112.904 1.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -80.37 153.36 28.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.296 -0.865 . . . . 75.43 110.092 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -132.74 116.63 16.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.786 0.327 . . . . 73.31 110.421 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.486 HG23 ' CE2' ' A' ' 34' ' ' PHE . 93.4 t -129.9 120.07 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.143 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.592 ' OD2' ' HB2' ' A' ' 24' ' ' GLU . 18.2 t70 60.67 35.82 19.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.406 0.622 . . . . 74.34 110.892 177.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.87 14.18 80.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.901 -0.666 . . . . 62.43 112.423 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -124.13 134.02 53.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.25 -0.278 . . . . 73.52 110.25 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.64 113.49 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.48 -0.563 . . . . 74.04 109.48 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 21' ' ' LEU . 29.0 m -99.89 159.43 3.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.638 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.56 101.67 54.25 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.068 -0.515 . . . . 72.22 109.828 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.429 ' HB2' HD22 ' A' ' 16' ' ' LEU . 56.3 Cg_endo -92.52 113.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.388 2.726 . . . . 71.45 113.013 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -124.0 162.18 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.32 110.234 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.07 136.01 57.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.18 -0.304 . . . . 75.12 110.18 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.97 164.67 22.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.475 0.655 . . . . 74.43 112.023 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.054 -0.975 . . . . 75.34 109.192 178.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 110.054 -0.35 . . . . 74.01 110.054 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -55.92 -57.98 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.031 0.443 . . . . 64.04 111.18 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -82.27 -9.86 59.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 74.12 111.785 -170.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HG3' HH11 ' A' ' 14' ' ' ARG . 37.9 mtt85 -104.16 -2.2 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.482 -0.327 . . . . 75.53 110.874 177.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.3 ttmm -95.54 139.72 31.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.259 0.552 . . . . 65.43 109.861 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.593 ' HB3' HG13 ' A' ' 60' ' ' VAL . 10.8 tp -106.11 125.87 51.51 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.512 -0.767 . . . . 74.21 109.968 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.28 120.59 28.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.926 -0.579 . . . . 73.11 109.623 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.7 mm -112.32 96.92 5.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.31 -0.405 . . . . 75.24 110.54 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.8 146.01 16.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.378 -0.915 . . . . 71.32 111.638 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.96 14.72 38.71 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.754 -0.736 . . . . 72.53 112.797 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -86.65 165.76 15.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.791 0.296 . . . . 74.11 110.688 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -79.08 172.81 13.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 61.13 111.132 -173.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -82.54 -2.38 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.557 0.694 . . . . 75.23 109.563 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -98.23 -7.11 29.87 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.099 -0.955 . . . . 73.42 109.104 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.574 ' HB ' HD13 ' A' ' 21' ' ' LEU . 50.1 m -77.21 93.8 4.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.385 -0.825 . . . . 65.02 110.324 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.8 t -95.52 168.81 10.46 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.907 -0.588 . . . . 74.34 109.591 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -41.48 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 74.34 111.329 -172.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.2 pt-20 -64.91 -39.15 93.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 72.23 110.852 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -70.47 -37.47 74.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 64.44 109.958 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD21 HG12 ' A' ' 45' ' ' VAL . 29.6 tp -65.14 -54.01 36.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.462 -0.79 . . . . 71.43 110.432 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 4.6 ptp180 -60.59 -38.0 83.2 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.421 -0.354 . . . . 74.34 110.192 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.3 m -61.19 -39.42 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 73.22 111.186 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.4 m170 -84.5 -4.97 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.838 0.31 . . . . 75.52 111.838 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 79' ' ' VAL . 41.9 m-85 -111.57 -17.65 13.0 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.609 -0.436 . . . . 74.12 111.882 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 57.7 mt-10 -75.78 4.05 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.48 . . . . 73.41 110.419 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 48.2 mt-30 -75.2 -43.82 49.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.972 -0.558 . . . . 73.34 110.976 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.48 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 26.2 m-90 -99.82 5.2 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 74.14 111.244 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 174.77 -179.13 46.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.082 -1.056 . . . . 72.21 113.275 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -101.24 124.24 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.365 0.266 . . . . 73.34 110.91 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 60' ' ' VAL . 8.5 mt -90.75 111.38 22.73 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.304 -0.558 . . . . 71.33 110.14 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -76.51 -24.48 53.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.663 0.744 . . . . 72.25 109.146 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.668 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 17.0 t70 -144.43 146.41 32.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.606 -1.179 . . . . 70.23 109.131 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.0 t -169.84 141.71 2.3 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.213 -0.662 . . . . 54.44 109.213 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.6 p -169.53 148.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.883 -0.414 . . . . 71.1 109.883 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' A' ' 27' ' ' ASP . 27.8 m -106.74 157.28 7.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.935 -0.395 . . . . 75.22 109.935 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.505 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 21.9 mmt . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 108.468 -0.938 . . . . 71.21 108.468 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 120.902 0.382 . . . . 71.43 110.759 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.76 7.4 88.61 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.558 -0.83 . . . . 71.13 112.398 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 19.3 p90 -159.33 160.23 34.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.239 0.542 . . . . 74.33 111.549 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.45 -175.13 29.03 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.321 -0.854 . . . . 70.31 111.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -135.72 153.61 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.597 0.713 . . . . 75.32 111.78 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.593 HG13 ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -150.05 116.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 75.21 108.934 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.668 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.3 m -104.95 115.35 30.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.697 -0.483 . . . . 73.12 109.697 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -75.67 -178.66 4.29 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.88 0.372 . . . . 72.41 110.677 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.62 -36.96 28.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.087 -0.708 . . . . 65.22 109.087 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.521 HG21 ' HG3' ' A' ' 67' ' ' GLU . 2.5 t -144.87 154.44 42.63 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.416 -0.811 . . . . 71.32 110.619 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.54 -29.36 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.826 0.676 . . . . 75.51 112.826 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.16 -20.08 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 70.13 111.345 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 25.0 mt-10 -83.23 -38.63 21.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.426 -0.583 . . . . 73.42 109.426 175.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 72' ' ' MET . 24.7 t -56.98 -52.32 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.329 -0.85 . . . . 71.13 110.282 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -63.57 -33.25 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.772 -0.649 . . . . 61.21 110.948 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.6 98.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 52.32 110.394 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.72 78.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 72.32 110.172 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.1 mtt -69.13 -33.73 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.576 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.2 -13.02 61.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.955 0.407 . . . . 75.34 110.694 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.41 16.45 18.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 74.35 111.293 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 8.3 ptm180 -79.3 150.5 74.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 75.11 110.296 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.6 Cg_exo -69.82 123.88 7.2 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.729 -1.363 . . . . 74.22 112.265 0.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -71.64 149.89 45.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 75.0 110.253 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 112.0 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.706 0.289 . . . . 71.33 110.724 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 34' ' ' PHE . 89.9 t -123.01 122.64 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.431 . . . . 74.4 109.96 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 60.84 31.18 20.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.536 0.684 . . . . 72.55 110.314 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.37 23.34 77.52 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.601 -0.809 . . . . 75.42 111.752 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -122.53 128.33 50.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.969 -0.382 . . . . 75.01 109.969 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.66 106.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.871 -0.418 . . . . 73.21 109.871 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.8 m -100.24 169.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.819 0.342 . . . . 74.41 110.661 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -125.09 104.76 29.25 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 116.182 -0.463 . . . . 75.25 109.806 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 16' ' ' LEU . 42.0 Cg_endo -91.56 113.48 0.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.546 2.831 . . . . 52.11 112.84 -177.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -123.7 161.26 25.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 74.14 110.916 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.46 126.9 28.92 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.915 -0.402 . . . . 74.15 109.915 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -71.81 154.7 41.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.219 0.533 . . . . 71.42 112.009 -176.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.534 -0.757 . . . . 65.13 109.385 177.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 110.053 -0.351 . . . . 74.13 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 9.5 tt0 -56.26 -47.76 77.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.67 . . . . 73.31 111.887 175.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.4 -18.17 55.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 73.01 111.847 -172.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.484 ' HG3' HD22 ' A' ' 13' ' ' LEU . 74.6 mtm180 -95.06 -15.23 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 72.41 110.731 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.697 ' HZ3' ' HB2' ' A' ' 15' ' ' LYS . 2.8 ttmp? -81.2 129.89 34.78 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.26 0.553 . . . . 72.41 111.365 175.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HB3' HD11 ' A' ' 18' ' ' ILE . 7.8 mt -92.93 131.16 38.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.583 -0.735 . . . . 73.12 110.656 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -89.97 113.49 25.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.965 -0.754 . . . . 73.1 108.965 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.454 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.9 mm -108.77 97.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.251 -176.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.38 146.02 16.42 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.296 -0.954 . . . . 71.34 112.045 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.11 32.85 11.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.792 -0.718 . . . . 75.41 112.445 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.604 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.4 pp -97.67 175.38 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.061 0.457 . . . . 70.13 111.293 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.6 t -74.11 155.28 38.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.63 -0.714 . . . . 65.24 110.828 -175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.2 -2.78 39.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.109 0.48 . . . . 70.01 110.004 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.14 -9.9 27.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.348 -0.612 . . . . 71.33 109.348 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.604 ' HB ' HD12 ' A' ' 21' ' ' LEU . 45.6 m -70.94 92.56 0.93 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.506 -0.77 . . . . 73.04 110.6 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -93.15 172.34 8.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 75.15 110.212 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.489 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 17.4 t70 -51.23 -56.18 14.22 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.016 0.526 . . . . 74.44 111.772 -174.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.09 -37.22 79.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 75.24 111.06 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 22.8 t -70.81 -36.7 73.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.184 0.516 . . . . 72.35 109.693 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD21 HG12 ' A' ' 45' ' ' VAL . 45.3 tp -66.63 -52.36 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 74.12 110.143 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.584 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 16.0 ptt180 -63.83 -37.42 87.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.506 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -61.5 -36.91 81.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 74.35 111.193 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.473 ' HD2' ' O ' ' A' ' 29' ' ' SER . 73.3 m-70 -81.26 -12.52 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 70.43 111.322 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 39.1 m-85 -106.25 -14.86 15.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.219 0.451 . . . . 75.31 112.219 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.1 mt-10 -67.93 -1.26 5.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.063 0.459 . . . . 75.44 111.167 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -83.58 -20.8 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.117 -0.492 . . . . 75.23 112.042 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.413 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -116.86 12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.902 0.382 . . . . 72.1 110.207 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 160.5 -168.64 36.06 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.996 -1.097 . . . . 70.42 113.77 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -107.18 127.49 53.56 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.898 0.479 . . . . 73.53 110.759 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' CG2' ' A' ' 60' ' ' VAL . 1.1 mm? -91.84 113.32 25.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.862 -0.735 . . . . 75.4 111.538 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -85.51 -21.15 28.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.14 -0.936 . . . . 73.44 110.65 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.619 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 37.1 t70 -149.18 90.94 1.79 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 74.24 111.183 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.9 p -110.4 145.81 36.93 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.696 -0.483 . . . . 64.32 109.696 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 7.6 p -169.08 137.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 75.43 110.952 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 30' ' ' LEU . 34.6 m -110.56 148.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.134 0.493 . . . . 70.24 110.697 175.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.387 -0.824 . . . . 74.52 109.886 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 . . . . . 0 C--O 1.231 0.089 0 N-CA-C 111.629 0.233 . . . . 73.23 111.629 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.09 58.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.362 -0.923 . . . . 72.21 112.222 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -162.95 166.68 23.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 75.12 110.174 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.58 -178.97 39.54 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.823 -0.911 . . . . 73.12 110.823 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 97.1 m-85 -126.63 148.54 49.79 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.3 0.571 . . . . 65.45 110.708 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.607 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 13.0 p -144.26 100.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 122.114 0.959 . . . . 75.14 110.112 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.619 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 9.4 m -94.56 125.26 39.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 73.34 110.167 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HB2' HG23 ' A' ' 68' ' ' VAL . 51.1 m-85 -86.42 177.57 7.39 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.874 0.369 . . . . 75.32 110.823 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.58 -35.86 60.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.491 0.663 . . . . 72.31 109.688 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 7.8 t -143.61 155.79 44.38 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.149 -0.932 . . . . 71.12 109.815 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.13 -29.52 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.809 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.59 -35.57 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 74.03 111.511 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.486 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.3 mt-10 -76.66 -37.5 56.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.086 0.469 . . . . 64.41 110.095 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 72' ' ' MET . 37.7 t -58.93 -52.2 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.711 -0.677 . . . . 74.43 110.593 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.53 74.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.584 . . . . 72.34 110.63 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.41 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 75.42 110.541 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.13 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.44 110.28 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.0 mtt -66.82 -43.92 82.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 70.31 110.618 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -65.25 -24.19 67.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 62.21 110.793 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 7.11 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.79 -0.641 . . . . 72.33 112.059 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ptt-85 -66.98 149.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 74.45 110.309 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 60.1 Cg_endo -72.57 129.74 17.95 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.528 -1.447 . . . . 75.32 113.017 2.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 20.1 t-80 -74.97 161.09 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.703 -0.68 . . . . 73.54 110.294 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -146.62 112.18 5.59 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.61 -0.515 . . . . 74.25 109.61 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -129.03 131.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.875 -0.417 . . . . 73.31 109.875 177.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 79' ' ' VAL . 19.0 t70 71.79 -57.17 0.62 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.173 0.921 . . . . 70.23 110.01 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.53 33.64 0.02 OUTLIER Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 108.808 -1.717 . . . . 62.01 108.808 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 12.8 tpp180 -132.25 128.46 37.9 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.434 -0.883 . . . . 75.22 110.285 -170.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.0 t -76.36 109.37 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.316 -0.624 . . . . 74.53 109.316 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 21' ' ' LEU . 28.5 m -104.81 174.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.861 -0.609 . . . . 74.04 111.191 -175.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.36 101.97 30.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.873 -0.603 . . . . 75.02 109.659 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.07 115.11 0.43 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.33 2.687 . . . . 72.35 112.674 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -128.54 160.11 33.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 71.14 110.307 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.44 126.7 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.077 -0.342 . . . . 75.1 110.077 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 12' ' ' GLN . . . -65.33 144.07 57.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.912 0.386 . . . . 75.25 111.21 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.29 -0.633 . . . . 72.32 109.29 175.808 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.724 0.297 . . . . 71.12 110.818 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.16 -37.04 86.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.056 -0.52 . . . . 64.13 110.72 -175.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.24 -18.69 48.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.055 0.455 . . . . 74.4 110.87 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.545 ' HG3' HH11 ' A' ' 14' ' ' ARG . 23.8 mtt85 -93.24 -5.67 49.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.152 0.501 . . . . 74.12 109.918 173.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 25.2 ttmm -93.27 136.46 33.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.346 -0.843 . . . . 75.15 109.874 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' A' ' 60' ' ' VAL . 9.2 tp -103.25 126.42 50.41 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.511 -0.768 . . . . 75.31 109.993 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -87.0 109.88 19.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.956 -0.757 . . . . 72.41 108.956 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 HG21 HD23 ' A' ' 30' ' ' LEU . 10.8 mm -102.35 95.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.326 -0.397 . . . . 75.53 110.105 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.67 147.78 18.02 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.026 -1.083 . . . . 52.14 111.684 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.0 19.66 23.42 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.819 -0.705 . . . . 74.13 112.722 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 3.2 pp -94.1 167.48 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.903 0.352 . . . . 72.42 110.843 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -78.63 174.82 10.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 72.43 111.553 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -82.64 -10.89 58.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.902 -0.59 . . . . 74.51 110.879 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -96.68 -9.91 28.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.143 0.497 . . . . 74.31 109.923 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.568 ' HB ' HD12 ' A' ' 21' ' ' LEU . 77.9 m -68.77 94.54 0.61 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.381 -0.827 . . . . 71.23 110.861 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -93.29 167.42 11.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.6 -0.727 . . . . 74.12 109.833 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -38.9 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.663 0.268 . . . . 62.41 110.998 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.08 -35.87 82.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.162 -0.472 . . . . 62.13 111.048 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -74.6 -42.69 58.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.534 0.683 . . . . 64.14 109.408 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 18' ' ' ILE . 2.7 tm? -64.95 -50.39 66.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.758 -1.11 . . . . 73.51 109.858 -173.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.523 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 13.8 ptt180 -66.31 -36.13 82.15 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.966 -0.561 . . . . 75.22 110.165 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.06 -40.33 90.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.639 0.257 . . . . 71.11 110.589 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 79' ' ' VAL . 86.1 m-70 -70.46 -28.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 75.43 110.724 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -91.48 -15.58 28.59 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.227 -0.296 . . . . 73.13 111.663 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 32.0 mt-10 -72.17 1.38 7.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.213 0.53 . . . . 74.32 110.671 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 34' ' ' PHE . 16.1 mt-30 -86.79 -26.5 24.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.697 -0.683 . . . . 73.34 111.957 -175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -112.03 10.96 20.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.188 0.518 . . . . 72.21 110.191 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.59 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.13 179.67 39.17 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.546 -0.835 . . . . 38.38 112.986 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -102.12 123.31 45.76 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.243 0.217 . . . . 64.2 111.022 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.29 116.28 24.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.133 -0.627 . . . . 72.14 109.948 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 p -82.64 -20.34 36.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.231 -0.895 . . . . 75.32 109.315 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 32.1 t70 -142.39 134.46 27.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.905 -1.043 . . . . 72.33 109.348 174.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.9 p -148.54 131.53 16.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.625 0.25 . . . . 73.41 110.559 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.76 150.26 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.363 -0.381 . . . . 73.14 111.109 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.35 151.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 74.11 110.017 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 121.733 0.778 . . . . 71.12 111.634 -175.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 14.9 mtm180 . . . . . 0 CA--C 1.526 0.048 0 N-CA-C 111.971 0.36 . . . . 74.51 111.971 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 24.35 64.18 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.662 -0.78 . . . . 64.11 113.895 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 26.8 p90 -164.76 164.43 21.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.997 0.398 . . . . 72.31 110.674 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.12 -170.26 27.74 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.95 -0.568 . . . . 52.23 112.011 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -136.44 155.13 50.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 72.12 111.326 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -151.0 114.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 73.24 110.589 176.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 46.3 m -93.44 121.17 34.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.446 -0.576 . . . . 65.04 109.446 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.56 178.16 8.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.674 0.273 . . . . 65.25 110.458 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -32.99 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.457 0.646 . . . . 62.44 109.803 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 t -149.24 156.43 42.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.478 -0.783 . . . . 73.22 110.214 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 m -55.06 -29.91 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 75.1 112.393 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.45 -35.84 68.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.172 0.51 . . . . 72.5 110.956 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.4 mt-10 -76.87 -40.17 48.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.543 -0.753 . . . . 73.33 110.561 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.486 HG13 HD13 ' A' ' 16' ' ' LEU . 50.1 t -56.56 -51.07 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.874 -0.603 . . . . 75.21 110.584 177.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.63 -34.82 76.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 73.33 110.9 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 73.22 110.464 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.88 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.9 -0.591 . . . . 74.44 110.574 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.45 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 30.2 mtt -68.92 -40.31 79.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 71.32 110.6 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -66.86 -20.28 65.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.932 0.396 . . . . 65.23 110.822 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.12 14.11 8.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.438 0.533 . . . . 72.52 112.438 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 5.3 ptp85 -77.14 153.59 82.38 Favored Pre-proline 0 C--N 1.328 -0.358 0 C-N-CA 121.099 -0.24 . . . . 72.42 110.805 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 35.7 Cg_endo -65.71 126.74 6.81 Favored 'Cis proline' 0 C--O 1.236 0.39 0 C-N-CA 123.423 -1.49 . . . . 75.4 112.456 -0.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 28.0 t-80 -74.8 149.77 39.55 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 73.01 109.571 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -133.9 114.86 13.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.44 -0.345 . . . . 74.32 110.344 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -137.23 119.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.821 -0.627 . . . . 71.53 110.119 177.636 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.22 36.02 25.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.64 -0.709 . . . . 54.22 111.363 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 2.99 88.52 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.704 -0.68 . . . . 74.12 112.928 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 22.5 tpp180 -108.8 137.65 46.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.778 0.323 . . . . 72.14 110.938 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 60.9 t -89.64 125.45 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.263 -0.643 . . . . 71.2 109.263 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.28 171.64 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 74.51 111.528 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.71 102.74 46.95 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.365 -0.834 . . . . 74.41 108.981 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HB2' HD22 ' A' ' 16' ' ' LEU . 30.1 Cg_endo -83.06 115.1 2.3 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.483 2.122 . . . . 75.15 111.602 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 16' ' ' LEU . 14.8 mtpp -119.43 150.35 40.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.392 -0.822 . . . . 72.23 110.519 -172.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 122.5 17.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.108 -0.701 . . . . 73.54 109.108 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.89 142.96 38.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.639 0.733 . . . . 73.21 111.841 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.397 -0.964 . . . . 71.42 108.397 169.083 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 26.9 tt0 . . . . . 0 C--O 1.22 -0.477 0 N-CA-C 109.937 -0.394 . . . . 73.21 109.937 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -65.86 -53.73 35.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 75.35 111.037 176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 pp -90.89 -13.41 33.68 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.678 -0.409 . . . . 64.41 111.83 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -92.26 -9.38 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.885 -0.326 . . . . 75.44 110.405 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 22.5 ttmm -88.04 136.4 32.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.609 . . . . 72.23 110.679 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 60' ' ' VAL . 8.1 tp -101.52 123.62 45.86 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.128 -0.942 . . . . 74.3 109.561 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -86.38 112.94 21.93 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.06 -0.719 . . . . 72.41 109.06 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.26 101.24 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.007 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.14 142.98 17.39 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.942 -1.123 . . . . 64.43 112.397 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.1 34.46 8.18 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.032 -0.604 . . . . 74.12 112.574 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.0 pp -98.53 174.5 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 63.35 111.185 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -75.73 167.9 21.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 75.21 111.492 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -85.7 -1.33 57.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.6 0.714 . . . . 74.54 109.642 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.41 -9.5 32.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.82 -1.082 . . . . 70.42 109.441 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 21' ' ' LEU . 55.5 m -76.82 104.14 7.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.195 -0.911 . . . . 74.41 111.386 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -107.33 169.61 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.618 -0.719 . . . . 74.22 110.235 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.428 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.6 t70 -52.02 -48.48 64.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.055 0.542 . . . . 72.33 111.809 -174.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.16 -37.71 88.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.079 -0.509 . . . . 75.11 111.48 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 48.7 m -78.27 -32.31 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.045 -0.354 . . . . 74.14 110.045 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD21 HG13 ' A' ' 45' ' ' VAL . 20.8 tp -66.1 -48.31 71.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.611 -0.514 . . . . 75.2 109.611 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.7 ptm180 -65.25 -39.56 92.83 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.786 -0.643 . . . . 73.31 110.293 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -62.17 -38.83 90.57 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.884 -0.326 . . . . 70.42 110.928 -176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CD2' HG22 ' A' ' 79' ' ' VAL . 80.8 m-70 -74.6 -39.13 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 74.22 111.137 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.46 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.3 m-85 -85.54 -19.86 30.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.611 0.597 . . . . 71.23 112.611 -175.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.524 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mt-10 -78.47 10.26 3.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.277 0.56 . . . . 74.41 110.61 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.13 -25.89 31.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.587 -0.733 . . . . 74.15 111.245 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -113.13 12.21 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 75.1 110.505 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.94 -170.14 40.55 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.218 -0.991 . . . . 74.11 113.152 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 52.4 m -108.39 123.1 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.428 0.291 . . . . 64.41 110.776 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.2 mt -92.59 108.06 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.539 . . . . 74.03 110.367 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.8 p -80.32 -16.22 55.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 71.2 110.369 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.586 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.2 t70 -151.47 105.3 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.355 -0.839 . . . . 74.13 110.571 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.51 143.81 47.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.613 -0.435 . . . . 55.43 110.108 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -163.56 146.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.36 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 30' ' ' LEU . 34.0 m -124.37 156.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.023 0.44 . . . . 75.42 110.576 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.562 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 17.1 mmt . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 108.974 -0.751 . . . . 74.25 108.974 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 71.2 mtp180 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.485 . . . . 72.42 110.366 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.64 10.51 65.16 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.734 -0.746 . . . . 45.14 112.756 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -158.95 160.05 35.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.365 0.602 . . . . 75.42 111.74 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.43 -178.45 31.5 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.196 -0.911 . . . . 75.04 111.267 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.498 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.8 m-85 -135.89 148.51 48.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.221 0.534 . . . . 75.15 111.248 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -148.31 109.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.203 -0.908 . . . . 73.24 110.685 -177.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.586 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -95.87 115.28 27.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.713 -0.676 . . . . 74.15 109.616 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' THR . 57.5 m-85 -77.86 176.19 9.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.818 0.342 . . . . 74.45 111.03 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.24 -37.03 58.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.435 0.636 . . . . 75.23 109.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.448 HG22 ' HG3' ' A' ' 67' ' ' GLU . 3.6 t -143.54 160.21 41.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.196 -0.911 . . . . 74.31 109.619 175.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.73 -17.83 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 75.4 111.22 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 75.33 110.153 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.6 mt-10 -77.1 -38.12 52.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.667 -0.697 . . . . 70.13 109.693 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 16' ' ' LEU . 20.0 t -54.83 -49.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.379 -0.828 . . . . 60.44 110.4 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.32 -40.83 87.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 73.32 110.933 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.22 96.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 73.32 110.7 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.85 82.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 63.21 110.58 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.468 ' HE2' ' HD3' ' A' ' 88' ' ' ARG . 36.7 mtt -66.18 -37.86 86.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.767 -0.651 . . . . 72.52 110.746 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.21 -4.1 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.979 -0.555 . . . . 72.15 110.531 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 12.04 33.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 70.21 110.647 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.505 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 15.0 ptt180 -76.02 152.09 84.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 72.33 110.359 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 17.4 Cg_exo -66.16 127.0 7.36 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.584 -1.423 . . . . 73.14 111.843 -1.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 26.4 t-80 -73.83 153.35 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.014 -0.539 . . . . 75.11 109.931 -177.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -136.91 112.86 9.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.272 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -136.66 124.05 32.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 73.34 109.887 176.427 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 62.89 30.74 16.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.502 -0.772 . . . . 72.04 110.988 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.59 23.8 77.38 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.639 -0.709 . . . . 54.22 112.417 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -126.26 132.58 51.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.314 -0.254 . . . . 74.11 110.314 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 62.4 t -81.78 126.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.879 -0.415 . . . . 75.51 109.879 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 21' ' ' LEU . 32.6 m -120.89 173.82 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.166 -0.47 . . . . 53.51 111.391 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -115.1 113.49 43.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 75.14 109.468 171.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.485 ' HB2' HD22 ' A' ' 16' ' ' LEU . 25.3 Cg_endo -91.72 103.59 0.23 Allowed 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 122.661 2.241 . . . . 75.42 111.028 173.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -117.12 154.83 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 73.32 110.546 -171.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' HD3' ' HE2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -62.75 130.44 44.94 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.279 -0.637 . . . . 61.5 109.279 175.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 138.46 43.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.554 0.692 . . . . 74.33 112.35 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 74.51 108.612 174.465 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 pt-20 . . . . . 0 C--O 1.214 -0.793 0 N-CA-C 109.356 -0.609 . . . . 61.23 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.53 -59.43 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.714 -0.676 . . . . 74.02 110.962 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -3.93 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 73.23 110.761 -174.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -102.69 -6.93 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.65 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 20.5 ttmm -98.02 138.69 34.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 74.23 109.535 177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.586 ' HB2' HG13 ' A' ' 60' ' ' VAL . 5.2 mt -101.22 129.32 47.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.161 -0.927 . . . . 72.51 110.309 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -85.44 114.38 22.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 75.14 109.102 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 86' ' ' PRO . 24.3 mm -109.28 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.309 -0.405 . . . . 73.43 110.324 -175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.5 144.55 18.47 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 119.894 -1.146 . . . . 64.04 112.079 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.0 17.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.862 -0.685 . . . . 41.2 113.039 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.588 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -90.7 169.14 11.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.168 0.484 . . . . 74.24 110.77 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -74.52 172.06 12.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.225 0.536 . . . . 62.42 111.099 -173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -85.79 -2.15 57.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 73.44 109.759 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -99.77 -13.75 19.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 74.13 109.89 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.8 m -65.48 123.43 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 61.42 110.27 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' HG2' ' A' ' 28' ' ' GLU . 5.1 t -132.64 173.82 10.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.695 -0.483 . . . . 60.24 109.695 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -47.2 -47.63 24.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.837 0.455 . . . . 75.23 112.093 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.411 ' HG2' HG22 ' A' ' 26' ' ' THR . 8.7 pt-20 -60.81 -45.17 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 55.14 111.767 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -79.71 -25.34 41.19 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.578 -0.449 . . . . 64.32 110.593 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.18 -56.19 14.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.364 -0.606 . . . . 74.15 109.364 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.524 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.4 ptm180 -71.17 -34.05 70.56 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.213 -0.595 . . . . 74.33 110.645 -176.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -65.76 -30.12 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.978 -0.289 . . . . 75.52 111.475 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 55.9 m-70 -93.44 -9.17 39.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.822 -0.351 . . . . 63.01 111.215 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' A' ' 36' ' ' GLN . 29.6 m-85 -107.34 -23.17 12.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.054 0.391 . . . . 75.45 112.054 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' HG2' HD12 ' A' ' 40' ' ' LEU . 29.9 mt-10 -75.21 15.56 0.42 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.001 0.429 . . . . 75.52 111.335 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.8 mt-30 -91.81 -21.96 20.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.121 -0.491 . . . . 72.33 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -115.77 13.55 16.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 74.1 110.167 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.35 -172.15 41.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.305 -0.95 . . . . 60.22 112.988 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 87.5 m -104.12 122.91 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.372 0.269 . . . . 73.3 110.408 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.767 ' HG ' HG21 ' A' ' 60' ' ' VAL . 3.9 mp -93.78 111.3 22.97 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.071 -0.652 . . . . 74.42 109.548 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -77.75 -25.45 49.2 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.826 -0.805 . . . . 75.2 108.826 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.63 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 27.7 t70 -141.0 141.68 34.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.531 -1.213 . . . . 74.34 109.901 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.3 p -153.02 142.24 21.49 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.156 -0.683 . . . . 73.12 109.156 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -163.58 140.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.037 0.446 . . . . 74.24 111.476 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -108.96 137.73 39.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.751 -0.833 . . . . 75.41 108.751 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 120.937 0.398 . . . . 74.44 111.099 -176.703 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 . . . . . 0 N--CA 1.457 -0.078 0 N-CA-C 111.919 0.34 . . . . 73.21 111.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.64 19.65 78.97 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.789 -0.72 . . . . 51.24 113.257 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.475 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 10.4 p90 -163.53 164.74 24.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.932 0.366 . . . . 73.52 110.679 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.0 -166.14 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 116.056 -0.52 . . . . 61.11 111.805 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 69.0 m-85 -139.65 157.36 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.204 0.526 . . . . 74.21 111.095 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG21 ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -147.04 123.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.45 -0.795 . . . . 73.33 110.65 -178.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.63 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.0 m -111.39 119.19 38.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.97 -0.382 . . . . 71.22 109.97 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 39' ' ' THR . 58.2 m-85 -86.3 172.81 10.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.859 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.15 67.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 73.21 109.906 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -147.91 161.0 42.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.449 -0.796 . . . . 75.31 110.113 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -63.27 -25.82 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 73.22 112.603 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.75 -19.15 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.852 -0.339 . . . . 73.31 111.465 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -79.47 -34.6 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 64.11 109.171 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG11 ' HG ' ' A' ' 16' ' ' LEU . 25.0 t -58.45 -45.4 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.331 -0.849 . . . . 63.14 109.457 171.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.6 -42.03 82.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.738 -0.664 . . . . 72.34 110.842 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.71 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 43.02 110.776 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.3 -32.02 68.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.001 0.429 . . . . 64.53 110.345 176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.678 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.8 mtt -72.28 -23.3 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.529 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -80.29 -19.03 47.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.402 0.62 . . . . 73.41 109.7 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.84 -8.94 55.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.305 -0.861 . . . . 75.12 111.692 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.691 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 35.2 ptt180 -78.39 149.34 75.37 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 110.123 -0.325 . . . . 74.11 110.123 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.691 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 32.3 Cg_exo -59.68 124.6 2.03 Favored 'Cis proline' 0 C--N 1.347 0.46 0 C-N-CA 123.609 -1.413 . . . . 75.05 112.761 2.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.565 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 18.9 t-80 -78.67 167.03 21.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.43 -0.804 . . . . 73.31 110.435 -172.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.8 tppt? -147.07 108.6 4.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 70.54 110.551 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -133.82 130.04 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.601 . . . . 75.35 109.771 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 63.66 18.74 11.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.759 0.79 . . . . 75.44 110.388 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 80.09 13.43 82.04 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.933 -0.651 . . . . 72.44 111.879 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -112.68 134.69 54.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.692 0.282 . . . . 73.4 110.299 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.1 t -81.58 120.65 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 55.14 109.951 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 21' ' ' LEU . 35.2 m -118.27 166.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 72.5 111.304 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -110.33 107.76 58.51 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.896 -0.593 . . . . 72.31 110.135 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HD13 ' A' ' 18' ' ' ILE . 19.5 Cg_endo -92.88 103.72 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.289 2.659 . . . . 63.13 111.725 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -124.2 150.62 45.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 63.4 110.473 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HD3' ' HE3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -55.55 130.51 43.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.268 0.227 . . . . 55.03 110.891 -176.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.87 158.0 36.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.5 0.667 . . . . 73.12 111.862 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.022 -0.99 . . . . 75.24 109.047 179.031 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 121.258 0.551 . . . . 75.43 109.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.52 -61.96 1.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.737 -1.12 . . . . 73.12 112.361 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 -1.29 57.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.426 -0.51 . . . . 75.41 111.559 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -99.09 -14.52 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 75.41 110.399 173.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -89.28 140.52 29.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.424 0.631 . . . . 75.13 109.715 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.516 ' HB3' HG13 ' A' ' 60' ' ' VAL . 8.9 tp -109.94 130.32 55.54 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.354 -0.839 . . . . 72.21 109.474 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.53 ' HB3' ' HG2' ' A' ' 87' ' ' LYS . 27.3 t80 -84.89 113.82 21.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.188 -0.671 . . . . 72.34 109.188 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.51 98.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.48 -0.327 . . . . 72.45 110.428 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.01 146.57 18.85 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.299 -0.953 . . . . 44.31 111.785 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.0 38.96 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.579 -0.82 . . . . 74.43 112.191 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD11 ' HB ' ' A' ' 25' ' ' THR . 3.1 pp -111.33 169.53 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 74.4 110.413 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 p -82.07 169.77 16.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.266 -0.425 . . . . 72.11 110.981 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -81.48 0.1 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.847 0.832 . . . . 74.41 109.016 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.75 -10.21 25.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.17 -1.377 . . . . 73.1 109.061 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.581 ' HB ' HD11 ' A' ' 21' ' ' LEU . 58.8 m -76.21 97.18 4.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.992 -1.003 . . . . 75.44 110.019 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -94.31 166.3 12.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.165 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.627 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 16.1 t70 -49.68 -50.29 44.22 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.068 0.547 . . . . 73.33 111.897 -174.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.92 -37.82 88.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.051 -0.522 . . . . 75.31 111.446 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 m -70.92 -34.67 71.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.908 -0.404 . . . . 51.12 109.908 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.01 -53.83 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 75.14 110.059 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 11.4 ptt85 -63.85 -37.92 89.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.008 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -64.88 -26.67 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.3 111.569 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.532 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.4 m-70 -90.8 -10.08 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.328 . . . . 75.31 111.536 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CE2' HG23 ' A' ' 79' ' ' VAL . 42.6 m-85 -112.81 -19.78 11.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.691 0.626 . . . . 74.41 112.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HG2' HD11 ' A' ' 40' ' ' LEU . 52.2 mt-10 -73.59 2.59 7.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.103 0.478 . . . . 75.35 110.743 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.9 mt-30 -74.51 -39.3 62.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.769 -0.65 . . . . 75.34 111.348 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.8 m-90 -103.2 4.44 36.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.065 -176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.72 175.36 41.36 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.911 -1.138 . . . . 65.23 113.403 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 94.8 m -89.57 125.71 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.418 0.287 . . . . 73.23 111.055 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.682 ' HG ' HG22 ' A' ' 60' ' ' VAL . 3.0 mp -93.9 109.96 21.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.003 0.43 . . . . 73.25 110.327 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -78.35 -21.73 49.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.643 0.735 . . . . 65.23 109.209 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.605 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 36.1 t70 -144.71 140.65 28.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.917 -1.038 . . . . 74.13 109.525 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.75 132.56 13.22 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.978 -0.749 . . . . 70.53 108.978 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.627 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 p -161.16 129.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 74.34 112.175 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 27' ' ' ASP . 88.7 t -96.64 141.36 15.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.912 -0.773 . . . . 73.23 108.912 171.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.56 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 23.7 mmt . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 74.35 108.817 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.56 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 47.0 mtp180 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 121.03 0.443 . . . . 75.24 110.608 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 5.46 75.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.612 -0.804 . . . . 64.25 112.447 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -162.95 164.01 25.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.049 0.452 . . . . 74.31 110.977 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.75 -173.94 28.88 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.764 -0.653 . . . . 72.33 111.579 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 80.9 m-85 -135.07 155.88 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.286 0.565 . . . . 75.53 111.282 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.682 HG22 ' HG ' ' A' ' 40' ' ' LEU . 2.5 p -147.75 129.71 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.23 -0.896 . . . . 70.05 110.037 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 28.2 m -118.36 121.62 40.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.558 -0.534 . . . . 72.31 109.558 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.556 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 69.6 m-85 -86.14 178.43 7.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.06 -0.518 . . . . 73.01 111.212 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.81 60.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 65.24 110.61 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 t -162.54 163.69 27.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.611 -0.722 . . . . 75.35 109.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.4 m -57.91 -27.05 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.348 0.499 . . . . 74.44 112.348 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.1 -42.31 99.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 74.23 111.017 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.4 mm-40 -63.09 -39.68 95.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.513 -0.767 . . . . 74.22 109.886 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG13 HD12 ' A' ' 16' ' ' LEU . 25.1 t -61.91 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.261 -0.881 . . . . 74.35 111.067 178.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.51 -49.2 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 64.44 110.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.19 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 75.24 111.573 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.45 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 55.52 110.897 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.482 ' HE2' ' HD3' ' A' ' 88' ' ' ARG . 44.3 mtt -70.53 -37.94 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.114 0.483 . . . . 65.12 110.326 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.3 -6.2 38.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.665 -0.698 . . . . 60.32 110.475 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.66 8.22 40.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.64 -0.709 . . . . 75.43 110.929 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 -66.61 140.47 96.47 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 64.24 110.022 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.7 127.33 14.1 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.972 -1.262 . . . . 74.01 112.259 0.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.706 -0.679 . . . . 75.15 110.249 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.688 ' HB2' ' HZ1' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -139.65 110.22 6.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.597 -0.274 . . . . 72.33 110.545 -176.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 34' ' ' PHE . 98.4 t -121.84 121.38 64.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.567 -0.531 . . . . 71.14 109.567 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 64.26 23.6 13.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.794 0.807 . . . . 63.12 110.35 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.53 19.76 79.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.408 -0.901 . . . . 74.21 111.578 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -116.56 133.25 56.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 74.22 109.296 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.8 t -76.17 106.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 74.41 110.231 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.32 161.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.052 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.63 113.05 38.54 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-O 120.864 0.364 . . . . 75.31 110.318 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HB2' HD21 ' A' ' 16' ' ' LEU . 20.0 Cg_endo -93.1 110.37 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 123.422 2.748 . . . . 74.22 112.279 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.53 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 17.0 ptpt -122.1 158.22 29.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.396 . . . . 72.34 110.219 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.482 ' HD3' ' HE2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.21 122.88 16.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.177 -0.305 . . . . 74.1 110.177 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.49 45.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 70.31 111.579 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.483 -0.78 . . . . 73.42 109.602 172.644 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.893 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . . . . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.519 -0.178 . . . . 74.21 110.519 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m 71.58 110.74 0.06 Allowed 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.837 0.711 . . . . 73.44 111.564 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 41' ' ' THR . 17.2 tppt? -126.89 130.26 49.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.997 -0.547 . . . . 71.43 110.353 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.3 m -76.69 93.75 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.341 0.591 . . . . 73.22 109.664 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.13 149.41 26.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.432 -0.804 . . . . 70.02 109.845 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 m -104.12 89.17 2.32 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.827 -0.805 . . . . 62.35 108.827 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.18 124.78 8.1 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.336 2.024 . . . . 74.34 112.367 -173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.13 -32.76 50.54 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.189 -1.041 . . . . 70.22 108.189 174.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.847 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -83.59 138.45 41.14 Favored Pre-proline 0 N--CA 1.446 -0.642 0 CA-C-N 114.42 -1.264 . . . . 65.13 108.572 175.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 39.4 Cg_exo -60.52 134.3 53.89 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.444 2.096 . . . . 74.43 112.424 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -55.83 -46.32 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 75.1 109.906 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -58.62 -36.84 74.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.572 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.75 -27.18 40.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.931 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.847 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 52.5 mtm180 -90.09 -11.84 40.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.867 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.38 137.96 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.38 0.609 . . . . 74.01 110.707 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HB3' HG13 ' A' ' 60' ' ' VAL . 8.4 tp -111.46 131.7 55.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.318 -0.855 . . . . 73.31 109.335 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.659 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 20.9 t80 -88.55 114.56 25.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.593 -0.521 . . . . 75.01 109.593 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -106.7 97.41 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.175 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA3' ' N1 ' ' B' ' 2' ' ' ' U' . . . -109.74 144.68 16.8 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.075 -1.059 . . . . 51.31 112.331 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.53 48.33 5.33 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.861 -0.685 . . . . 42.41 112.16 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.603 HD11 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -108.32 179.34 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 73.12 111.426 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.44 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 29.2 t -72.88 155.0 40.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 72.2 110.924 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -78.21 -4.42 47.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.157 0.503 . . . . 74.44 110.032 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -98.19 -8.23 27.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.581 -0.736 . . . . 64.23 109.503 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.603 ' HB ' HD11 ' A' ' 21' ' ' LEU . 47.4 m -75.65 101.11 4.85 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.547 -0.751 . . . . 64.13 111.139 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.9 t -110.36 -176.63 3.03 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.782 -0.821 . . . . 74.32 108.782 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.21 -53.1 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.61 0.364 . . . . 53.42 111.815 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.3 pt-20 -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 73.44 111.634 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -77.27 -30.26 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 70.05 109.933 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.23 -57.03 4.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.548 -0.751 . . . . 72.51 109.899 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 ptm180 -64.82 -36.0 82.9 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.723 -0.391 . . . . 72.44 110.751 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.2 t -62.29 -31.88 72.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.74 0.305 . . . . 74.31 111.115 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.7 m-70 -92.75 -6.38 49.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.527 -0.306 . . . . 75.12 111.496 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' C ' ' H ' ' A' ' 36' ' ' GLN . 27.5 m-85 -110.2 -22.21 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.806 -0.357 . . . . 73.33 111.9 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 40' ' ' LEU . 59.3 mt-10 -73.46 17.72 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.075 0.464 . . . . 75.35 111.12 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 34' ' ' PHE . 14.0 mt-30 -97.8 -20.7 17.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 72.11 111.256 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.0 m-90 -115.76 14.62 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.283 0.563 . . . . 73.21 109.874 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.42 -169.95 38.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.459 -0.877 . . . . 72.01 112.895 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 42.1 m -106.79 124.49 49.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.423 0.289 . . . . 72.22 110.278 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.663 ' HG ' HG23 ' A' ' 60' ' ' VAL . 1.8 mp -92.43 112.63 24.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.16 -0.616 . . . . 74.42 110.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 50.2 p -80.46 -28.6 37.61 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.44 -0.8 . . . . 61.34 109.857 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.548 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.4 t70 -143.11 99.03 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.632 -0.713 . . . . 74.33 110.278 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.6 p -113.2 133.1 55.23 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 109.027 -0.731 . . . . 74.41 109.027 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.893 ' HB ' ' HB2' ' A' ' 1' ' ' ALA . 5.1 p -158.9 121.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.4 0.619 . . . . 62.25 111.492 -177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.13 142.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.231 -0.655 . . . . 72.11 109.231 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.691 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 24.5 mmt -82.85 133.14 35.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.979 -0.378 . . . . 73.41 109.979 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -111.58 158.52 19.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.966 -0.383 . . . . 75.24 109.966 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.32 137.09 96.63 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.816 -0.629 . . . . 73.42 109.768 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.99 -14.31 43.19 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.435 2.09 . . . . 73.34 112.588 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -109.42 -55.14 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 73.44 110.3 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 p -78.9 -29.44 44.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.771 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 63.39 28.14 15.45 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.056 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -100.63 -76.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.901 -0.32 . . . . 74.01 111.315 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -152.83 164.1 38.49 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.809 -0.356 . . . . 62.54 111.41 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 42.3 mtp180 -123.82 4.33 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 70.24 111.161 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.642 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 79.98 15.21 79.48 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.798 -0.715 . . . . 63.32 113.378 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.483 ' HB3' H5'' ' B' ' 2' ' ' ' U' . 19.5 p90 -164.94 159.51 18.22 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.771 0.32 . . . . 75.33 110.487 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 -173.4 28.2 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.178 -0.534 . . . . 50.45 112.155 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HE1' ' C2 ' ' B' ' 3' ' ' ' A' . 93.4 m-85 -131.29 154.74 48.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 75.11 111.068 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.4 p -148.79 116.49 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.46 -0.791 . . . . 72.4 110.626 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.548 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 38.1 m -107.22 125.25 50.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.949 -0.389 . . . . 72.51 109.949 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.487 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 60.0 m-85 -88.47 175.75 7.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.466 -0.334 . . . . 73.01 110.998 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -22.19 58.99 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.519 . . . . 45.41 110.553 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -159.59 162.97 35.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.4 -0.818 . . . . 61.15 110.026 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.543 HG23 HH21 ' A' ' 88' ' ' ARG . 3.5 p -60.61 -32.26 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 73.15 112.338 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.83 -15.75 62.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.686 0.279 . . . . 71.44 111.718 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 29.0 mt-10 -82.91 -37.29 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.531 -0.544 . . . . 63.01 109.531 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG11 HD13 ' A' ' 16' ' ' LEU . 7.7 t -58.0 -43.82 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.636 -0.711 . . . . 65.43 109.495 171.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.44 -41.88 81.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.038 -0.983 . . . . 73.14 110.131 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.79 88.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.914 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.07 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.934 0.397 . . . . 73.22 110.378 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.481 ' HE3' ' HD3' ' A' ' 88' ' ' ARG . 33.8 mtt -68.16 -37.59 81.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 72.2 110.72 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.29 -17.02 63.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.018 0.437 . . . . 74.33 110.619 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.16 7.54 31.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.983 -0.553 . . . . 74.23 111.514 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 87.7 mtm180 -70.97 145.29 91.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.52 -0.309 . . . . 75.21 110.443 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.2 Cg_exo -70.99 126.08 10.05 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.693 -1.378 . . . . 73.33 111.901 -0.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.416 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 26.4 t-80 -69.98 158.99 34.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 60.22 110.615 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -141.82 112.55 7.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.776 -0.647 . . . . 70.22 110.036 -176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.47 127.79 54.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.204 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.9 t70 70.77 -5.22 1.5 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.688 -0.687 . . . . 75.51 111.092 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.44 8.64 30.5 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.311 -0.716 . . . . 62.04 111.311 -174.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 7.9 tpp180 -112.3 132.61 54.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.469 -0.366 . . . . 75.12 110.458 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.01 119.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.095 -0.705 . . . . 75.44 109.095 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -116.1 176.0 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.179 -175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -123.69 105.86 32.51 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 74.13 109.623 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HB2' HD22 ' A' ' 16' ' ' LEU . 28.0 Cg_endo -91.12 106.46 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.179 2.586 . . . . 70.14 112.531 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -111.68 160.22 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 75.32 110.49 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.543 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -63.57 131.01 46.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.15 -0.315 . . . . 75.02 110.15 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.613 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -65.95 122.67 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 72.02 111.109 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.09 170.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.168 -0.678 . . . . 64.32 109.168 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 1.5 m -70.53 140.3 51.78 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.443 -0.577 . . . . 73.41 109.443 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.627 ' HA ' ' N2 ' ' B' ' 4' ' ' ' G' . 1.8 ptm180 -72.61 -23.35 60.93 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.465 -0.494 . . . . 72.21 110.157 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.84 -19.49 60.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 71.0 110.215 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 91' ' ' SER . 9.6 t70 -70.95 -47.15 60.59 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.379 0.609 . . . . 72.02 109.635 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 p -79.51 -32.5 42.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.096 -0.956 . . . . 75.22 110.046 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 58.75 51.56 7.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.269 -0.878 . . . . 75.52 110.904 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.534 -0.757 . . . . 74.53 109.19 174.68 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.775 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 104.778 2.078 . 0.0 '__' . 75.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.775 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C4'-C3'-C2' 103.859 1.159 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.896 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-C2' 107.735 0.954 . 0.438 4b . 72.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.896 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 C1'-O4'-C4' 106.11 -3.878 OUTLIER-DELTA 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 1.072 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 P-O3'-C3' 121.151 1.209 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.072 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C4'-C3'-C2' 104.735 2.035 OUTLIER-EPSILON 0.0 OUTLIER . 74.15 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.802 " O5'" " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 P-O3'-C3' 121.773 1.728 . 0.0 OUTLIER epsilon-1 74.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.849 0.357 . . . . 71.2 110.705 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -103.36 -41.46 6.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 74.25 110.075 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.16 -70.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.882 -0.784 . . . . 75.44 108.882 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 m -165.35 -41.86 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.76 -1.109 . . . . 73.35 108.482 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.519 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 57.66 31.4 20.33 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.12 -0.945 . . . . 73.02 110.484 178.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.7 p -90.97 163.75 28.28 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.02 -0.991 . . . . 75.05 110.553 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.46 ' HA ' HH22 ' A' ' 14' ' ' ARG . 4.5 Cg_exo -79.62 26.09 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.059 2.506 . . . . 55.42 111.859 174.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -72.11 -53.82 11.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 74.02 110.221 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.65 150.32 58.01 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 71.51 110.541 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.62 116.1 2.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.304 2.67 . . . . 72.3 112.987 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HG3' HG21 ' A' ' 61' ' ' THR . 37.0 tt0 -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 75.43 110.477 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 91' ' ' SER . 18.7 tt0 -56.43 -50.18 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.246 0.546 . . . . 75.13 110.975 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.67 -24.69 62.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.54 -0.755 . . . . 64.35 111.414 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 HH22 ' HA ' ' A' ' 7' ' ' PRO . 73.5 mtm180 -98.57 -7.81 27.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.616 0.246 . . . . 74.34 111.56 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.1 ttmm -89.59 136.33 33.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.382 0.61 . . . . 62.42 110.582 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.53 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.52 129.8 53.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.266 -0.879 . . . . 73.32 109.725 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 20.6 t80 -86.86 113.27 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.819 -0.628 . . . . 72.14 109.452 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.437 HD13 ' CZ ' ' A' ' 34' ' ' PHE . 11.6 mm -109.1 97.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.109 -0.496 . . . . 72.12 110.584 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.93 148.81 18.74 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.051 -1.071 . . . . 55.22 112.42 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.89 11.55 49.6 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.027 -0.606 . . . . 62.11 112.698 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -81.41 163.68 22.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.563 0.221 . . . . 71.55 110.57 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -82.61 173.55 11.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.252 0.549 . . . . 63.13 111.435 -170.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 89.7 m-85 -81.93 2.36 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.582 0.706 . . . . 64.24 109.644 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.31 -14.86 24.98 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.003 -0.999 . . . . 71.54 108.9 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.545 ' HB ' HD13 ' A' ' 21' ' ' LEU . 27.4 m -72.56 130.03 39.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.162 -0.926 . . . . 74.12 110.425 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -133.14 163.04 30.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 73.12 109.908 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.74 -46.75 41.49 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 62.33 111.667 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.08 -44.26 92.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.446 . . . . 75.03 112.158 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 p -78.17 -28.88 48.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 75.11 110.287 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HG ' HG22 ' A' ' 45' ' ' VAL . 3.0 tm? -65.4 -45.62 83.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.275 -0.875 . . . . 75.24 108.984 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptp85 -71.96 -38.84 69.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 120.403 -0.519 . . . . 74.13 110.156 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.6 m -59.79 -38.29 81.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.7 0.286 . . . . 60.24 111.254 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -74.7 -35.95 62.72 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.832 -0.347 . . . . 72.25 111.523 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' A' ' 40' ' ' LEU . 39.7 m-85 -85.59 -17.66 35.57 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.145 -0.622 . . . . 74.42 112.35 -178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 23.6 mt-10 -79.01 14.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.472 . . . . 75.42 110.942 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.88 -32.05 20.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.062 -0.517 . . . . 71.11 110.722 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.5 m-90 -108.69 15.27 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.37 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 161.68 -169.23 37.08 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.233 -0.984 . . . . 65.12 113.385 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -112.82 124.87 53.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 62.2 111.185 -178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 60' ' ' VAL . 28.6 mt -91.36 111.14 22.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.131 0.491 . . . . 74.34 110.466 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.7 p -81.98 -24.65 35.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 74.12 110.042 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.591 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -143.32 96.41 2.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.053 -0.976 . . . . 74.42 109.754 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.11 139.5 53.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.379 -0.373 . . . . 74.41 110.391 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.615 HG13 ' C4 ' ' B' ' 5' ' ' ' G' . 12.9 p -163.8 147.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.878 0.371 . . . . 73.14 111.359 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG22 ' HG ' ' A' ' 30' ' ' LEU . 60.3 t -119.77 139.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.04 174.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.737 ' HE2' " O4'" ' B' ' 4' ' ' ' G' . 1.5 mpt? -90.05 141.8 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.284 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.536 ' HD2' ' O ' ' A' ' 53' ' ' ARG . 11.8 mmt180 -106.56 140.98 38.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.97 -0.752 . . . . 75.11 108.97 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.731 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 7.4 t70 -60.75 140.4 93.12 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 115.434 -0.803 . . . . 74.4 111.321 -173.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.0 -21.21 56.9 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.492 2.128 . . . . 74.23 111.927 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.86 -55.25 2.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 73.53 110.122 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 17.1 p -78.65 -33.98 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.469 -175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HB3' ' HZ2' ' A' ' 52' ' ' LYS . 1.1 mmmp? 62.82 28.49 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.998 -0.546 . . . . 72.45 110.445 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.536 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 9.7 mpt_? -117.28 -56.33 2.25 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.32 -0.4 . . . . 65.24 110.017 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 48' ' ' ASP . 41.4 t -156.87 143.88 18.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.985 -0.552 . . . . 71.12 109.728 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.731 ' HG2' ' HA ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -86.32 -6.04 59.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.102 -0.499 . . . . 74.3 110.395 177.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.526 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 86.15 17.85 60.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.647 -0.787 . . . . 60.32 112.187 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.665 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 22.8 p90 -165.52 161.69 18.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.078 0.466 . . . . 74.51 111.017 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 178.61 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.816 -0.914 . . . . 64.42 110.816 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.7 m-85 -133.97 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 73.1 111.27 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.586 ' HB ' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -147.34 111.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.33 -0.85 . . . . 74.3 111.194 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.591 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 4.3 m -97.75 114.65 26.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.631 -0.713 . . . . 63.4 109.604 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -78.03 172.82 12.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.765 0.317 . . . . 64.32 111.151 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.99 57.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 72.42 109.965 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.3 t -154.69 156.38 36.32 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.496 -0.775 . . . . 64.2 110.678 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.25 -29.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 61.4 111.207 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.84 -35.56 64.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.226 0.536 . . . . 74.4 111.046 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.4 mt-10 -81.76 -33.89 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 74.15 110.439 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 16' ' ' LEU . 40.5 t -59.95 -45.94 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.808 -0.633 . . . . 75.1 110.44 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -57.16 -46.0 83.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 73.31 110.506 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.57 90.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 61.41 111.199 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.34 90.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 64.11 111.253 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 45.6 mtt -66.77 -42.22 86.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.953 0.406 . . . . 73.51 110.616 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.69 -15.24 63.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 64.5 110.952 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 5.36 36.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 71.33 111.493 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 14.6 ptm180 -78.4 155.67 78.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.063 -0.347 . . . . 73.14 110.063 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 22.9 Cg_exo -63.93 123.79 3.55 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.7 -1.375 . . . . 73.13 112.37 1.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.494 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -78.11 154.56 31.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 64.31 110.625 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -133.26 114.22 13.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.197 -0.456 . . . . 65.55 110.057 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG23 ' CE2' ' A' ' 34' ' ' PHE . 79.7 t -121.79 127.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.285 . . . . 64.21 110.638 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 67.18 -58.87 0.4 Allowed 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.32 1.012 . . . . 63.01 110.7 -175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.84 34.98 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.268 -1.533 . . . . 44.45 109.268 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -143.55 133.39 23.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.483 -0.859 . . . . 75.42 109.53 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.4 t -73.43 114.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.873 -0.417 . . . . 72.15 109.873 176.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -104.16 163.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.392 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -118.58 102.41 49.93 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 109.793 -0.447 . . . . 64.12 109.793 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -90.61 111.41 0.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 123.124 2.55 . . . . 74.51 112.667 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.56 165.04 19.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.709 . . . . 74.42 109.686 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.16 130.29 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.659 0.266 . . . . 75.14 110.47 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HB3' ' O6 ' ' B' ' 4' ' ' ' G' . . . -80.39 131.81 35.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.127 0.489 . . . . 64.02 111.573 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -75.55 144.06 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.66 . . . . 73.45 109.43 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.427 ' HB2' ' OE1' ' A' ' 12' ' ' GLN . 45.7 t -52.07 135.14 31.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.69 0.281 . . . . 61.54 110.823 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -71.37 -12.81 61.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.578 0.704 . . . . 72.42 109.387 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.7 -27.61 33.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.876 -1.056 . . . . 65.5 109.761 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -90.38 -7.31 53.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 75.21 110.852 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 t -62.5 114.32 3.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.738 -0.664 . . . . 73.53 110.826 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -110.87 -0.19 16.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.478 -0.783 . . . . 62.35 109.579 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.412 -0.804 . . . . 63.25 110.48 -176.533 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.832 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 C4'-C3'-C2' 105.461 2.761 OUTLIER-DELTA 0.0 '__' . 73.32 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.832 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 104.627 1.927 . 0.0 OUTLIER . 72.41 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.771 " H2'" ' OP2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.729 0.949 . 0.0 OUTLIER gamma 75.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 1.107 " H4'" H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 C1'-O4'-C4' 106.949 -2.946 OUTLIER-DELTA 0.0 OUTLIER delta 75.22 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 1.107 H5'' " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 C4'-C3'-C2' 104.816 2.116 OUTLIER-DELTA 0.0 OUTLIER delta-1 73.5 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.715 " H4'" ' OP1' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-C2' 107.496 0.783 . 0.0 OUTLIER . 73.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.715 ' OP1' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C3'-C2'-C1' 102.841 1.49 . 0.0 OUTLIER alpha 74.02 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.35 -0.241 . . . . 75.34 110.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -79.07 -36.07 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.114 0.483 . . . . 74.32 109.799 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.84 152.18 19.57 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.298 -0.63 . . . . 74.44 109.298 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.6 m -113.84 14.73 18.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.453 -0.34 . . . . 74.45 110.784 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 4.9 mp0 51.73 80.87 0.08 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.655 -0.702 . . . . 72.5 111.151 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.459 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 21.0 m -130.72 62.65 66.34 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.368 -0.378 . . . . 64.12 111.203 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 6' ' ' SER . 96.4 Cg_endo -100.92 -155.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.317 2.678 . . . . 63.13 111.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.622 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -98.19 -32.88 11.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.109 0.48 . . . . 70.0 109.922 174.088 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 4.2 pt-20 -146.09 101.57 4.16 Favored Pre-proline 0 N--CA 1.447 -0.614 0 CA-C-N 115.726 -0.67 . . . . 75.54 110.249 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.508 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 4.3 Cg_exo -75.1 103.27 1.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.34 2.027 . . . . 73.24 110.657 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.3 tt0 -63.91 -38.49 91.28 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 110.256 -0.276 . . . . 64.03 110.256 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.5 -54.61 38.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.381 0.61 . . . . 75.55 111.248 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 6.6 tt -70.82 -23.57 62.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.42 -0.809 . . . . 72.33 111.777 -173.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 9' ' ' GLU . 46.2 mtm180 -99.17 -7.43 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.391 -0.368 . . . . 75.43 111.314 -178.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 22.0 ttmm -89.17 136.73 32.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.249 0.547 . . . . 72.31 110.498 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 ' HB3' HG22 ' A' ' 60' ' ' VAL . 8.2 tp -105.45 127.61 53.09 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.327 -0.852 . . . . 74.23 109.714 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.683 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 24.4 t80 -86.0 113.58 22.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.222 -0.658 . . . . 73.35 109.222 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mm -108.68 102.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.362 -0.381 . . . . 74.03 110.121 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.73 150.34 18.67 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 119.815 -1.184 . . . . 61.35 111.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.37 26.07 21.92 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.951 -0.642 . . . . 42.13 112.648 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.6 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -96.46 167.7 11.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 65.44 110.961 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m -72.46 166.68 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 75.25 111.063 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 91.5 m-85 -81.85 -7.07 59.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.553 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -93.93 -9.52 36.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 54.43 110.047 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.6 ' HB ' HD12 ' A' ' 21' ' ' LEU . 86.3 m -73.61 104.85 4.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.67 -0.695 . . . . 71.11 110.689 176.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.5 t -116.25 -177.3 3.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.827 -0.624 . . . . 73.33 109.388 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.39 -55.18 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.27 0.47 . . . . 63.14 112.27 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.57 -35.78 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 65.32 111.701 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 -13.93 41.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.576 -0.45 . . . . 72.33 111.214 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 tp -81.28 -51.03 8.82 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.487 -0.56 . . . . 74.2 109.487 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 8.3 ptt180 -63.75 -37.47 87.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.701 -0.681 . . . . 75.44 110.652 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -60.6 -34.14 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.12 111.167 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.589 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 44.8 m80 -89.66 -4.41 57.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.992 0.368 . . . . 73.24 111.992 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 40' ' ' LEU . 42.0 m-85 -116.64 -16.06 10.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.274 0.472 . . . . 64.13 112.274 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 47.7 mt-10 -75.76 8.12 3.29 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.178 0.513 . . . . 74.13 110.647 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 34' ' ' PHE . 11.7 mt-30 -84.07 -28.75 27.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.976 -0.556 . . . . 72.5 111.177 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.589 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -107.37 11.37 29.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 71.44 110.531 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 164.51 -159.18 32.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.26 -0.972 . . . . 71.44 113.252 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.5 m -115.24 121.74 43.86 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.529 0.331 . . . . 74.55 110.864 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.6 mt -91.66 100.51 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.191 0.52 . . . . 63.13 110.1 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.3 p -75.69 -21.4 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.984 -1.007 . . . . 75.4 110.204 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.632 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 30.4 t70 -143.31 103.65 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.368 -0.833 . . . . 73.32 110.091 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -112.17 145.7 39.38 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.626 -0.509 . . . . 73.43 109.626 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG21 ' N3 ' ' B' ' 5' ' ' ' G' . 10.9 p -168.02 141.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 64.43 110.985 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' A' ' 26' ' ' THR . 34.9 m -122.41 151.28 26.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.41 -0.589 . . . . 74.33 109.41 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.75 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 22.2 mmt -88.79 135.91 33.28 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.097 -1.075 . . . . 72.1 108.097 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 7.1 mpt_? -110.01 153.27 24.82 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.487 -0.485 . . . . 73.22 111.134 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.84 140.59 98.12 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.521 -0.763 . . . . 65.11 109.744 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -26.42 81.82 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.362 2.041 . . . . 72.12 111.709 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -97.79 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 74.31 110.34 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 p -68.87 -32.74 72.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.683 -0.69 . . . . 73.44 110.78 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 65.52 22.77 11.82 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 115.411 -0.813 . . . . 64.15 110.796 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -98.31 -76.01 0.54 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.676 0.275 . . . . 74.5 110.597 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 27.2 t -147.5 153.2 39.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.284 0.564 . . . . 61.4 110.774 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 35.9 mtp180 -100.49 9.21 42.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 73.21 110.446 175.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.664 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.53 10.6 70.19 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.468 -0.873 . . . . 42.34 112.823 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.0 158.98 20.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.773 0.321 . . . . 61.12 110.561 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.72 -173.09 25.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.213 -0.517 . . . . 70.04 112.338 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.464 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.2 m-85 -135.99 149.46 48.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.101 0.477 . . . . 74.13 111.041 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.556 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -147.15 112.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.564 -0.744 . . . . 72.44 110.787 -178.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.632 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -97.29 116.95 30.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 71.45 110.104 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' A' ' 39' ' ' THR . 61.7 m-85 -79.18 174.28 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.334 -0.394 . . . . 73.15 110.944 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.63 61.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.298 0.57 . . . . 75.11 109.67 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.3 t -141.69 156.82 45.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.812 . . . . 73.13 110.073 179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' HB ' HD22 ' A' ' 13' ' ' LEU . 3.2 p -57.39 -28.72 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 62.51 111.65 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.12 -32.34 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 70.34 111.508 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.2 mt-10 -75.96 -38.2 57.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.124 0.488 . . . . 72.5 109.946 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 16' ' ' LEU . 42.2 t -56.34 -46.31 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.43 -0.804 . . . . 70.04 110.411 174.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.79 -47.75 73.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 75.55 111.037 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.6 97.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 63.3 111.2 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.64 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.242 -0.436 . . . . 75.11 110.754 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.712 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 mtt -69.54 -33.39 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.908 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -71.6 -17.66 62.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 73.43 110.762 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.19 22.39 3.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.856 -0.611 . . . . 61.31 112.273 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.712 ' HD2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -94.41 154.44 40.27 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.162 -0.31 . . . . 62.14 110.162 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 23.4 Cg_exo -64.65 125.18 4.84 Favored 'Cis proline' 0 C--O 1.236 0.403 0 C-N-CA 123.662 -1.391 . . . . 74.1 112.187 -0.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.509 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 22.8 t-80 -71.49 161.66 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.387 -0.824 . . . . 70.51 110.476 -174.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -142.36 110.46 5.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.098 0.475 . . . . 74.41 110.853 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.51 129.02 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 73.44 109.847 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.74 22.84 13.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.6 0.714 . . . . 74.53 110.246 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.66 8.63 87.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.838 -0.696 . . . . 73.22 112.172 -176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -110.88 138.09 47.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.557 0.218 . . . . 73.4 110.719 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -85.46 123.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.24 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 21' ' ' LEU . 26.2 m -118.08 168.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.052 -0.522 . . . . 75.45 111.147 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -113.23 105.35 55.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.581 . . . . 64.13 109.927 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -89.7 106.94 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.914 2.409 . . . . 75.52 111.894 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -122.83 162.01 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.12 110.339 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HD3' ' HE1' ' A' ' 72' ' ' MET . 1.9 tpt180 -61.65 141.71 57.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.425 -0.352 . . . . 63.22 110.539 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.776 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -79.41 149.72 31.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.439 0.638 . . . . 65.24 111.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.09 156.39 7.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.076 -0.965 . . . . 73.41 108.438 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.464 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 74.8 m -61.79 132.83 54.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.377 -0.529 . . . . 73.32 110.483 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -67.69 -21.3 65.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.107 -0.701 . . . . 75.21 109.107 175.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.44 -42.74 99.68 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.019 -0.991 . . . . 70.51 110.18 172.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 21.4 m-20 -74.49 -43.59 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 52.4 110.364 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -120.07 85.04 2.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 73.04 110.546 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -90.13 -29.58 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.386 -0.598 . . . . 74.21 109.386 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.402 -0.809 . . . . 73.42 109.241 173.222 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.847 HO5' H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 C3'-C2'-C1' 103.107 1.786 . 0.0 '__' . 72.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.847 H5'' HO5' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.913 1.081 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.776 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.922 1 C3'-C2'-C1' 97.81 -4.1 . 0.0 OUTLIER alpha 73.54 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.609 ' N2 ' HO2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C1'-O4'-C4' 106.936 -2.96 . 0.0 OUTLIER alpha 73.31 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.75 ' C8 ' ' HE3' ' A' ' 46' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 100.459 -1.156 . 0.0 OUTLIER alpha 75.3 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.824 " H4'" H5'' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C4'-C3'-C2' 103.736 1.036 . 0.0 OUTLIER gamma 74.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.824 H5'' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.612 0.866 . 0.0 OUTLIER . 73.52 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.272 -0.27 . . . . 72.2 110.272 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.59 72.14 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.419 0.628 . . . . 72.04 111.396 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HZ3' ' HB3' ' A' ' 3' ' ' LYS . 3.4 ttpm? -146.47 9.24 1.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.667 -0.864 . . . . 73.33 108.667 173.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 p -79.9 152.3 29.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 72.55 111.299 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -78.37 73.29 4.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.494 -0.558 . . . . 75.04 109.494 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 m -69.56 119.5 71.21 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 71.12 110.233 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.64 136.59 71.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.011 2.474 . . . . 64.23 111.905 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 3.2 mptp? -83.07 54.76 2.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.46 . . . . 73.44 111.506 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.65 126.82 43.89 Favored Pre-proline 0 N--CA 1.446 -0.646 0 N-CA-C 107.872 -1.158 . . . . 73.15 107.872 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.536 ' O ' HD22 ' A' ' 13' ' ' LEU . 46.7 Cg_exo -49.79 127.98 20.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.803 2.335 . . . . 75.23 113.26 -173.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.64 -17.45 64.61 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.183 -1.043 . . . . 72.45 108.183 170.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -48.98 -56.72 8.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.762 -1.108 . . . . 74.34 111.737 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -82.31 -8.59 59.64 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.486 -0.486 . . . . 72.33 110.684 -175.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -99.44 -1.06 39.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 74.11 110.202 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.5 ttmm -105.86 139.85 39.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 74.21 110.207 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.657 ' HG ' HG11 ' A' ' 68' ' ' VAL . 6.4 mt -101.47 130.88 47.81 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.603 -0.726 . . . . 73.12 110.599 175.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 24.9 t80 -91.55 118.56 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.597 -0.729 . . . . 72.32 109.438 176.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -109.48 98.45 7.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.287 -0.415 . . . . 64.23 110.328 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 146.02 17.23 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.193 -1.003 . . . . 54.21 112.283 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.585 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 88.05 37.59 7.73 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 72.12 112.412 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.8 pp -103.53 169.61 8.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 74.51 110.795 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -74.52 162.38 28.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.963 -0.562 . . . . 72.52 111.157 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.705 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 88.4 m-85 -83.85 8.7 14.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.361 0.6 . . . . 72.35 110.443 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -106.18 -7.83 17.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.324 -0.853 . . . . 65.11 109.496 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.557 ' HB ' HD13 ' A' ' 21' ' ' LEU . 25.2 m -70.27 118.16 12.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.496 -0.774 . . . . 60.22 110.29 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -119.55 163.87 16.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.311 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.26 -45.16 65.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.507 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.33 -38.73 92.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.599 . . . . 74.13 111.874 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -83.9 -28.18 28.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.542 . . . . 73.45 110.057 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' O ' ' HD2' ' A' ' 34' ' ' PHE . 3.0 tm? -64.03 -53.59 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.797 -0.816 . . . . 74.44 108.797 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 40' ' ' LEU . 8.0 ptt180 -66.9 -35.78 80.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.026 -0.533 . . . . 75.4 110.103 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 t -64.39 -31.99 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.633 0.254 . . . . 64.42 111.132 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 30.1 m-70 -91.26 -6.4 53.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.619 0.229 . . . . 73.44 111.619 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 36' ' ' GLN . 36.9 m-85 -111.54 -21.54 11.7 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 72.21 112.052 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' OE2' ' HG3' ' A' ' 31' ' ' ARG . 50.2 mt-10 -72.17 8.15 1.42 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.178 0.513 . . . . 74.34 111.068 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.1 mt-30 -84.91 -28.07 26.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.031 -0.531 . . . . 75.15 111.137 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.1 m-90 -108.9 8.02 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.908 -0.317 . . . . 74.52 110.645 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.99 -173.89 42.89 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 119.973 -1.108 . . . . 73.34 113.72 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 27.8 m -102.47 124.55 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.663 0.385 . . . . 72.34 110.618 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 31' ' ' ARG . 11.1 mt -92.73 112.36 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.251 0.548 . . . . 73.41 111.108 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.41 -27.78 34.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.385 -0.825 . . . . 70.2 109.982 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.11 94.89 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.7 -0.682 . . . . 74.3 111.072 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.1 p -107.11 128.47 54.42 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.275 -0.639 . . . . 75.13 109.275 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 " H1'" ' B' ' 5' ' ' ' G' . 7.1 p -157.57 130.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 72.13 112.014 -175.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -107.31 130.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 64.11 110.089 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.737 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 22.7 mmt -80.77 141.82 34.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.612 -0.514 . . . . 64.14 109.612 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HG2' ' A' ' 55' ' ' ARG . 8.2 mmt180 -114.08 154.86 27.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.582 -0.447 . . . . 74.22 110.738 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.14 136.08 96.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.652 -0.704 . . . . 72.55 109.106 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.36 -17.92 61.33 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.235 1.957 . . . . 73.13 112.158 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.0 -58.31 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.06 -0.518 . . . . 72.23 110.432 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.6 p -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.769 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 11.4 mmmm 62.53 28.92 16.95 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.732 -0.667 . . . . 73.01 110.28 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 7.0 mpt_? -99.71 -69.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 71.34 110.536 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.705 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 38.8 t -162.69 160.56 25.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.751 -0.658 . . . . 75.01 109.496 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HG2' ' C ' ' A' ' 47' ' ' ARG . 42.5 mmm-85 -100.77 -2.55 32.08 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.017 -0.538 . . . . 73.41 110.275 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.499 ' HA3' " O2'" ' B' ' 1' ' ' ' U' . . . 85.82 13.71 69.01 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.757 -0.656 . . . . 72.21 111.785 -177.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.736 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 11.4 p90 -162.08 159.38 26.11 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 64.11 111.008 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.91 177.88 30.33 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.2 -0.909 . . . . 53.04 111.018 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HE1' ' C2 ' ' B' ' 3' ' ' ' A' . 94.5 m-85 -128.85 149.99 50.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.48 0.657 . . . . 74.24 111.226 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.556 HG12 ' HB2' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -144.71 103.64 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.782 -1.099 . . . . 74.51 109.747 -176.47 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -98.26 119.71 37.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.511 -0.768 . . . . 74.14 109.651 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 39' ' ' THR . 59.5 m-85 -87.19 175.52 8.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.804 0.335 . . . . 73.44 110.628 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.88 65.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 54.44 109.907 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.429 HG21 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -138.92 162.22 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.462 -0.79 . . . . 75.44 110.034 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.8 -30.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.327 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.13 -38.52 73.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 63.53 111.454 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -72.64 -36.42 68.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 72.11 110.29 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.657 HG11 ' HG ' ' A' ' 16' ' ' LEU . 25.2 t -59.91 -49.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 72.43 110.303 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.31 -36.1 77.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 74.04 110.938 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.24 91.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 73.22 110.56 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 74.23 110.473 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.643 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 34.2 mtt -68.94 -42.31 76.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.068 -0.515 . . . . 75.12 110.449 177.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -66.67 -15.51 63.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 74.42 110.451 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 1.35 56.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.761 -0.654 . . . . 71.13 111.721 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.646 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 36.7 ptt180 -82.46 154.11 68.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.106 -0.331 . . . . 71.13 110.106 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.646 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 39.5 Cg_exo -59.58 128.42 3.98 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.455 -1.477 . . . . 75.44 112.687 0.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.474 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 28.2 t-80 -80.53 165.72 21.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.257 -0.883 . . . . 62.34 110.347 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -142.46 110.7 6.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.373 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.08 129.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 75.11 109.655 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 67.46 18.32 10.07 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.617 0.723 . . . . 71.21 110.156 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.89 6.44 89.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.993 -0.623 . . . . 74.43 111.673 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 21.5 tpp180 -103.87 127.45 51.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 75.12 110.131 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 69.3 t -77.46 108.0 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.686 -0.487 . . . . 74.14 109.686 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 34.3 m -106.41 173.28 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.122 -0.49 . . . . 72.14 111.071 -176.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.44 107.16 23.82 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.875 -0.602 . . . . 72.32 110.022 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -89.77 120.48 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.111 2.54 . . . . 75.51 112.258 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -128.49 158.99 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.051 -0.522 . . . . 63.3 110.505 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.38 124.17 19.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.703 -0.48 . . . . 71.53 109.703 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -71.34 159.18 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.177 0.513 . . . . 64.04 111.7 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -109.57 142.72 21.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.016 -0.735 . . . . 71.2 109.016 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -64.97 140.99 58.92 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.454 -0.498 . . . . 75.4 110.168 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -68.9 -11.54 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.314 0.578 . . . . 75.31 109.761 176.061 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.35 -20.16 37.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.33 -0.85 . . . . 73.45 110.116 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.65 -15.62 14.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.8 . . . . 73.52 110.649 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.3 t -86.26 134.69 33.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.623 -0.717 . . . . 75.51 110.672 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.58 -34.95 76.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 71.33 110.241 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.795 -0.621 . . . . 65.44 109.739 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 1.075 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.842 1.03 . 0.0 '__' . 71.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 1.075 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C4'-C3'-C2' 103.95 1.25 . 0.0 OUTLIER . 63.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.712 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 100.109 -1.545 . 0.228 0b . 75.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.6 ' N2 ' HO2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 C1'-O4'-C4' 106.343 -3.619 OUTLIER-DELTA 0.0 OUTLIER delta 74.42 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.909 " C5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 105.269 2.569 OUTLIER-DELTA 0.0 OUTLIER delta-1 73.43 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.909 H5'' " C5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C4'-C3'-C2' 103.494 0.794 . 0.0 OUTLIER '7D dist 5q' 70.12 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.447 ' OP2' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 100.764 -0.818 . 0.0 OUTLIER gamma 75.45 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.468 -0.197 . . . . 55.43 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 64.45 92.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.592 0.557 . . . . 52.41 111.438 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 118.85 20.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 71.45 110.379 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.7 m -75.45 108.64 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.249 -0.649 . . . . 73.53 109.249 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.3 98.64 0.34 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.916 -0.583 . . . . 72.52 111.502 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.809 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 20.2 m -72.93 -53.08 5.39 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.946 -0.57 . . . . 70.2 110.42 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.809 ' HD3' ' HB2' ' A' ' 6' ' ' SER . 1.5 Cg_endo -82.65 91.31 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.226 1.951 . . . . 73.25 109.478 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -74.02 90.97 2.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.693 -0.685 . . . . 74.31 112.276 -167.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.11 128.99 81.77 Favored Pre-proline 0 C--N 1.313 -0.978 0 N-CA-C 108.054 -1.091 . . . . 75.22 108.054 165.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.603 ' HB2' HD23 ' A' ' 13' ' ' LEU . 64.4 Cg_exo -48.09 118.43 3.16 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.759 2.306 . . . . 75.01 112.69 -173.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.745 -0.661 . . . . 72.24 109.254 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -51.69 -57.87 7.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.117 -0.947 . . . . 73.45 112.02 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -84.42 -4.97 59.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.741 -0.384 . . . . 74.05 111.644 -171.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -101.81 -10.88 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.911 0.386 . . . . 74.1 110.666 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.9 ttmm -91.74 134.96 34.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.251 0.548 . . . . 71.13 110.052 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HB3' HG22 ' A' ' 60' ' ' VAL . 9.5 tp -100.75 127.64 47.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 74.43 109.577 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.718 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 18.7 t80 -88.59 115.89 26.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.989 -0.55 . . . . 65.11 109.713 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.503 HG13 HD21 ' A' ' 30' ' ' LEU . 9.1 mm -107.4 94.31 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.012 -0.54 . . . . 73.31 109.946 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.96 145.04 16.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.333 -0.937 . . . . 36.38 111.982 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.74 6.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.769 -0.729 . . . . 52.51 112.01 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -109.64 174.23 5.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.166 0.508 . . . . 74.42 111.53 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -66.99 151.88 46.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.223 -0.899 . . . . 65.23 111.197 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -78.2 0.93 23.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.29 0.567 . . . . 74.02 109.901 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.41 -5.97 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.402 -0.817 . . . . 74.11 109.697 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.601 ' HB ' HD12 ' A' ' 21' ' ' LEU . 62.0 m -65.56 103.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 64.52 110.792 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -97.65 161.1 13.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.328 -0.851 . . . . 73.3 110.701 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.459 ' HA ' HG11 ' A' ' 45' ' ' VAL . 3.1 m-20 -46.31 -49.42 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.998 0.811 . . . . 72.1 111.505 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' SER . 7.5 pt-20 -64.29 -41.25 96.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 64.02 111.56 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.3 t -69.89 -35.89 74.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.146 0.498 . . . . 63.31 109.889 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' HG23 ' A' ' 79' ' ' VAL . 3.6 tt -69.08 -50.25 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 73.23 109.468 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.488 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 ptm180 -62.9 -34.03 76.57 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.637 -0.425 . . . . 64.51 110.219 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.055 0.455 . . . . 63.41 110.412 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.7 m-70 -83.6 -11.13 57.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.085 -0.507 . . . . 70.11 111.424 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' A' ' 36' ' ' GLN . 32.3 m-85 -110.05 -14.93 14.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.406 0.521 . . . . 71.33 112.406 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 40' ' ' LEU . 27.9 mt-10 -75.85 15.58 0.51 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.348 0.594 . . . . 64.51 111.188 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 34' ' ' PHE . 46.6 mt-30 -93.69 -36.08 12.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.808 -0.633 . . . . 73.4 110.649 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.596 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -101.25 11.26 39.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.964 -0.562 . . . . 61.1 110.221 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.556 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.3 -166.25 37.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.867 -0.683 . . . . 64.31 112.48 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -115.03 123.08 48.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.304 0.242 . . . . 62.54 110.825 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD22 ' HG3' ' A' ' 35' ' ' GLU . 1.2 mm? -85.49 116.05 23.57 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.981 -0.687 . . . . 73.12 109.788 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.6 p -83.63 -23.03 32.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.557 -0.747 . . . . 73.3 109.751 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.528 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.7 t70 -147.3 99.59 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.308 -0.86 . . . . 71.2 110.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB2' HG11 ' A' ' 60' ' ' VAL . 12.6 t -113.66 141.01 47.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.727 -0.471 . . . . 74.21 109.727 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG21 " H1'" ' B' ' 5' ' ' ' G' . 10.5 p -162.01 140.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.392 -0.367 . . . . 65.1 111.045 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 27' ' ' ASP . 15.8 m -116.84 143.5 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.167 0.508 . . . . 73.51 110.345 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.799 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 1.2 mpt? -90.68 137.55 32.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.763 -0.653 . . . . 74.22 110.721 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.08 150.5 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.682 -0.69 . . . . 73.3 109.594 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 12.6 t70 -57.56 139.22 81.36 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 73.52 110.348 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.48 -17.12 53.03 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.21 1.94 . . . . 75.13 112.509 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.47 -53.15 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.22 0.533 . . . . 62.41 110.221 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 25.1 p -83.63 -26.5 29.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 61.41 111.239 -175.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 66.0 21.5 11.29 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.473 -0.785 . . . . 61.15 111.487 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.05 158.38 16.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 73.33 108.733 175.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -51.69 128.35 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.004 0.431 . . . . 72.13 110.738 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -63.2 -39.67 95.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.788 -0.642 . . . . 72.42 111.5 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' HA3' HO2' ' B' ' 1' ' ' ' U' . . . 132.42 7.33 2.81 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.161 -0.775 . . . . 65.1 111.161 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.635 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 25.6 p90 -155.19 162.21 41.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.944 0.402 . . . . 64.32 110.826 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.07 -179.59 32.12 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.021 -0.832 . . . . 75.1 111.021 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.476 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.4 m-85 -134.47 152.91 52.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.149 0.5 . . . . 75.41 111.322 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.22 112.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 74.35 110.356 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 m -93.18 117.12 29.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.675 -0.693 . . . . 64.23 109.321 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -79.06 178.22 8.2 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.66 0.267 . . . . 75.24 110.72 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.72 49.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.284 0.564 . . . . 53.24 109.673 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.438 HG21 ' HG3' ' A' ' 67' ' ' GLU . 3.2 t -144.33 157.31 44.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.391 -0.822 . . . . 73.43 110.087 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.77 -23.54 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 75.02 111.856 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -61.92 -33.42 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.979 0.419 . . . . 74.23 111.14 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 28.5 mt-10 -76.32 -36.83 58.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.974 -0.557 . . . . 70.2 109.902 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 16' ' ' LEU . 25.7 t -56.69 -48.05 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.52 -0.764 . . . . 62.34 110.572 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.94 -41.1 91.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 72.33 110.951 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.95 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 64.43 110.75 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.21 79.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.031 -0.531 . . . . 73.43 110.628 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.547 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.0 mtt -67.27 -45.85 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.508 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -59.51 -23.37 62.76 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.011 0.434 . . . . 36.38 110.688 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.58 0.88 32.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 75.55 112.053 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 72' ' ' MET . 21.9 ptt180 -73.1 147.36 88.12 Favored Pre-proline 0 C--O 1.233 0.226 0 N-CA-C 110.209 -0.293 . . . . 71.03 110.209 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 42.3 Cg_endo -66.58 127.14 7.85 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.348 -1.522 . . . . 73.13 112.616 1.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.516 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 30.0 t-80 -80.74 162.84 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.84 -0.618 . . . . 71.54 109.763 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -141.8 112.45 7.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.437 -0.347 . . . . 74.3 110.188 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' ' 30' ' ' LEU . 1.4 p -137.0 129.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.352 -0.385 . . . . 74.42 110.225 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 t70 64.71 19.64 11.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.554 -0.748 . . . . 74.52 110.383 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.94 17.53 74.58 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 115.935 -0.575 . . . . 52.21 112.562 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -120.74 121.88 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.935 -0.394 . . . . 73.12 109.935 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 88.5 t -64.41 120.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 72.42 109.948 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -115.64 174.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.053 0.454 . . . . 73.32 111.41 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.81 105.7 29.58 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.648 -0.706 . . . . 73.1 109.498 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' HB2' HD22 ' A' ' 16' ' ' LEU . 29.8 Cg_endo -89.96 107.68 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.057 2.505 . . . . 64.33 112.268 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.65 162.04 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 63.21 110.778 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -62.45 130.75 46.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.282 -0.417 . . . . 75.35 110.125 176.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.581 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -73.22 139.72 46.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.141 0.496 . . . . 71.11 111.326 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 91' ' ' SER . 12.2 p -96.78 168.36 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.03 -0.73 . . . . 73.21 109.03 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 90' ' ' VAL . 14.8 m -57.64 142.19 45.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.278 -0.267 . . . . 74.24 110.278 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.663 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 8.2 ptm180 -58.44 -56.28 24.16 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.143 0.423 . . . . 75.32 112.143 -173.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.59 -34.35 78.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.976 0.417 . . . . 61.44 111.255 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.61 -21.08 66.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.508 -0.769 . . . . 74.11 111.595 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.767 ' HB3' ' N2 ' ' B' ' 4' ' ' ' G' . 32.8 t -111.61 -24.33 10.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.546 -0.297 . . . . 71.13 110.907 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 92' ' ' ARG . 47.3 mt-30 -67.38 -46.49 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.023 0.439 . . . . 74.42 110.606 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.517 -0.754 . . . . 74.42 110.108 178.306 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 1.072 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 C3'-C2'-C1' 103.341 2.045 . 0.0 '__' . 74.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 1.072 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C4'-C3'-C2' 104.863 2.163 . 0.0 OUTLIER . 74.13 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.78 " H1'" ' C2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 108.585 1.561 . 0.0 OUTLIER gamma 73.23 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.847 " H4'" H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 C1'-O4'-C4' 106.616 -3.315 OUTLIER-DELTA 0.0 OUTLIER delta 74.04 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.847 H5'' " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C4'-C3'-C2' 104.304 1.604 . 0.0 OUTLIER delta-1 75.4 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.691 " H1'" ' H5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 C4'-C3'-C2' 104.82 2.12 . 0.0 OUTLIER zeta-1 71.14 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.691 ' H5 ' " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-C2' 107.727 0.948 . 0.0 OUTLIER . 73.14 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.756 0.312 . . . . 73.51 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -62.77 153.68 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 74.43 110.582 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -111.03 169.1 8.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.847 0.355 . . . . 73.23 110.984 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -66.86 147.49 53.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.949 -0.569 . . . . 72.52 109.967 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -76.9 142.02 40.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.874 0.369 . . . . 75.33 110.9 -176.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.773 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 19.2 m -71.82 -55.39 5.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.034 -0.53 . . . . 74.11 111.501 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.773 ' HD3' ' HB2' ' A' ' 6' ' ' SER . 7.6 Cg_exo -73.11 99.53 1.11 Allowed 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.867 1.711 . . . . 74.0 111.732 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.781 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -100.26 18.66 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.298 -0.41 . . . . 75.23 110.795 -179.143 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.1 mp0 -55.49 138.69 68.36 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 115.8 -0.636 . . . . 74.15 110.717 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 52.1 Cg_exo -54.56 124.36 15.94 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.275 2.65 . . . . 75.15 113.679 -174.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -34.82 75.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.934 -1.03 . . . . 73.42 110.69 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 8.8 pt20 -68.23 -31.5 71.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.295 0.569 . . . . 73.41 110.362 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 15.8 tp -72.55 -38.93 67.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.554 -0.748 . . . . 75.33 110.547 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.06 -8.46 59.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.127 -0.942 . . . . 72.0 110.896 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.786 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 3.9 ttmp? -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.922 -0.581 . . . . 73.14 111.637 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' ' 60' ' ' VAL . 7.5 mt -99.67 132.14 45.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.359 -0.837 . . . . 72.41 110.636 174.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 32.0 t80 -92.58 111.54 23.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.98 -0.748 . . . . 71.32 108.98 174.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' HB3' ' A' ' 16' ' ' LEU . 19.3 mm -106.05 102.81 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.382 -0.372 . . . . 74.23 110.438 -175.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.645 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -111.48 147.05 17.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.252 -0.975 . . . . 73.21 112.45 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.69 53.68 2.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.986 -0.626 . . . . 54.24 112.68 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -123.89 166.36 15.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 61.13 110.882 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.19 160.97 23.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.11 -0.495 . . . . 74.4 111.726 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.53 1.3 30.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.476 0.655 . . . . 75.12 110.047 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -101.06 -14.32 17.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 74.4 109.597 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 21' ' ' LEU . 33.2 m -72.27 109.66 6.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.197 -0.91 . . . . 74.32 110.576 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' HG2' ' A' ' 28' ' ' GLU . 7.2 t -117.04 168.76 9.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.877 -0.601 . . . . 74.31 109.855 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.93 -50.7 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.752 0.658 . . . . 72.34 111.319 -175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.7 pt-20 -63.88 -44.68 92.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 74.13 111.95 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.8 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.14 0.495 . . . . 73.14 110.404 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD13 HG11 ' A' ' 45' ' ' VAL . 8.2 tt -76.76 -45.73 27.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.788 -0.642 . . . . 64.34 109.663 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 14.7 ptt180 -65.07 -34.15 77.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.029 -0.532 . . . . 74.24 110.229 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -62.25 -22.78 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 52.1 111.054 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' A' ' 79' ' ' VAL . 44.8 m-70 -89.65 -38.89 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.34 111.056 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 40' ' ' LEU . 51.4 m-85 -82.51 -19.44 38.69 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.182 0.438 . . . . 75.52 112.182 -176.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 40.6 mt-10 -74.49 9.33 1.78 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.781 0.324 . . . . 74.45 110.96 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 34' ' ' PHE . 13.8 mt-30 -90.59 -24.33 20.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.533 -0.303 . . . . 72.21 111.425 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.82 13.66 18.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.967 0.413 . . . . 74.14 110.4 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.48 -176.55 38.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.325 -0.941 . . . . 72.31 113.239 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -99.54 123.21 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 74.45 111.152 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD22 ' HB ' ' A' ' 60' ' ' VAL . 19.8 mt -93.91 112.76 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 71.4 109.988 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.1 p -80.61 -29.86 36.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.384 0.611 . . . . 62.12 109.449 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 15.0 m-20 -138.3 87.01 2.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 61.34 109.683 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.587 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 1.3 p -111.15 117.7 33.95 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.654 -0.703 . . . . 73.0 110.122 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG12 ' C4 ' ' B' ' 5' ' ' ' G' . 7.8 p -159.09 139.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.919 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 HG11 HD13 ' A' ' 30' ' ' LEU . 23.9 m -101.6 163.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.348 -0.387 . . . . 75.52 110.096 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 24.2 mmt -100.66 142.8 31.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.596 -0.442 . . . . 74.42 110.423 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -106.25 162.81 13.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 74.3 110.329 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.2 t70 -68.02 136.84 91.94 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.647 -0.706 . . . . 73.22 109.241 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.84 -4.47 14.81 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.425 2.083 . . . . 75.24 113.145 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -115.9 -58.08 2.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.194 0.521 . . . . 63.35 109.759 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.667 ' HB ' HH11 ' A' ' 53' ' ' ARG . 17.3 p -76.65 -31.56 57.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.43 -0.805 . . . . 72.44 110.9 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.8 mmmt 69.4 25.68 5.43 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.546 -0.752 . . . . 75.23 111.581 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.667 HH11 ' HB ' ' A' ' 51' ' ' THR . 4.9 mpt_? -103.89 173.75 6.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.313 -0.995 . . . . 64.3 108.313 172.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -54.23 125.16 18.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.235 0.541 . . . . 75.03 109.966 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.851 ' HD3' ' HE2' ' A' ' 57' ' ' PHE . 5.7 ttt180 -72.77 -27.59 62.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.43 -0.805 . . . . 74.23 110.946 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 120.68 13.21 5.72 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.124 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.853 ' CZ ' " H5'" ' B' ' 3' ' ' ' A' . 10.5 p90 -165.53 166.26 18.39 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.943 -0.392 . . . . 73.04 109.943 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.58 -173.98 29.83 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.904 -0.665 . . . . 73.32 112.506 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 89.3 m-85 -131.96 150.32 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.336 0.588 . . . . 71.51 111.167 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -142.46 110.54 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.37 -0.832 . . . . 62.31 110.888 176.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 7.8 m -98.79 108.98 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.649 -0.705 . . . . 62.35 109.585 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 39' ' ' THR . 63.4 m-85 -75.44 171.13 14.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.746 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.42 62.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.344 0.592 . . . . 63.24 109.841 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.479 HG21 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -151.31 156.11 40.12 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.33 -0.85 . . . . 74.41 109.799 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -62.3 -20.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 73.01 111.087 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.18 -36.82 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.685 . . . . 62.14 110.433 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 23.2 mt-10 -79.17 -35.34 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 74.53 110.138 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 72' ' ' MET . 31.4 t -56.37 -48.38 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.605 -0.725 . . . . 75.05 110.498 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.93 -38.94 83.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 75.1 110.952 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.08 93.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 75.14 110.658 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.47 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 75.54 110.392 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 38.8 mtt -70.54 -32.58 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.518 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -75.0 -15.6 60.65 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.019 0.437 . . . . 74.22 110.464 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.79 9.46 16.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.911 -0.586 . . . . 73.44 111.264 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 15.2 ptt180 -73.86 148.66 87.33 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.081 -0.509 . . . . 74.35 110.412 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.84 124.17 8.47 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.615 -1.41 . . . . 72.23 111.544 -1.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.466 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 16.8 t-80 -67.85 155.44 39.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.249 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 5.2 tppp? -142.19 101.89 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 73.23 110.466 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 33' ' ' HIS . 1.4 p -126.71 126.58 68.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 74.11 109.947 176.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 65.13 21.41 12.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 75.32 110.189 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 79.19 12.21 84.23 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.857 -0.687 . . . . 52.42 111.969 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.9 tpt85 -111.67 127.44 55.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.066 -0.346 . . . . 73.24 110.066 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.2 t -78.61 107.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 71.34 109.826 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 33.2 m -100.51 172.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.046 -0.524 . . . . 74.45 111.195 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 43.9 tt0 -122.02 106.66 36.17 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.725 -0.67 . . . . 73.15 109.728 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 10.8 Cg_endo -88.89 108.68 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.156 2.571 . . . . 73.11 112.317 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -115.45 159.91 20.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.101 -0.499 . . . . 74.41 110.679 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -62.8 136.68 57.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.393 . . . . 72.34 110.022 175.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.47 157.68 26.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.318 0.58 . . . . 73.33 111.631 -177.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.0 t -119.47 160.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.247 -0.888 . . . . 72.13 109.237 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.453 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 1.8 p -63.36 136.55 57.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.806 0.336 . . . . 74.02 110.486 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.451 ' HG2' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -72.92 -21.24 60.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.152 0.501 . . . . 74.14 110.367 -177.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' OE2' ' HG2' ' A' ' 92' ' ' ARG . 1.9 mp0 -70.83 -37.4 73.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.596 -0.729 . . . . 70.23 110.2 175.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.46 -20.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.414 -0.812 . . . . 73.01 111.565 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 19.7 p -72.45 136.29 45.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.675 -0.491 . . . . 71.32 109.675 174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 95' ' ' SER . 27.5 mm-40 67.85 20.58 9.29 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.48 0.488 . . . . 73.23 110.757 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.421 -0.8 . . . . 70.3 109.045 177.705 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.836 ' C6 ' H5'' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C4'-C3'-C2' 105.871 3.171 OUTLIER-DELTA 0.0 '__' . 74.32 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.645 ' C2 ' ' HA3' ' A' ' 19' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 100.335 -1.294 . 0.0 OUTLIER . 73.43 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.853 " H5'" ' CZ ' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -1.003 1 C3'-C2'-C1' 97.542 -4.397 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.64 ' O6 ' ' HB1' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 98.898 -2.891 . 0.0 OUTLIER alpha 75.2 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.941 " O5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C4'-C3'-C2' 106.134 3.434 OUTLIER-DELTA 0.0 OUTLIER alpha 74.25 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.941 H5'' " O5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.113 0 C3'-C2'-C1' 99.732 -1.964 . 0.0 OUTLIER zeta-1 63.1 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.468 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C4'-C3'-C2' 103.776 1.076 . 0.0 OUTLIER gamma 71.41 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.797 0.332 . . . . 60.34 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -71.75 140.64 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.41 . . . . 72.44 110.976 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' HB2' ' H ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -153.67 -157.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 75.54 110.228 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' ' 3' ' ' LYS . 22.6 t -60.75 111.0 1.46 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.951 0.405 . . . . 53.42 110.103 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.23 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.86 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -143.96 94.55 5.86 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.501 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.39 148.96 84.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.657 2.238 . . . . 70.23 111.287 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -93.93 87.84 5.52 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.575 -0.528 . . . . 74.01 109.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.933 ' HG3' ' HD2' ' A' ' 14' ' ' ARG . 42.7 tt0 -117.97 87.0 26.73 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 74.54 112.048 -175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.512 ' HG2' HD22 ' A' ' 13' ' ' LEU . 2.7 Cg_exo -78.73 116.31 3.75 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.468 2.112 . . . . 63.53 109.996 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.9 tt0 -62.54 -24.35 67.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 73.13 110.255 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.56 -50.95 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 75.4 111.317 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 10' ' ' PRO . 3.9 pp -90.27 -13.11 36.0 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.575 -0.45 . . . . 73.53 111.742 -172.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.933 ' HD2' ' HG3' ' A' ' 9' ' ' GLU . 89.9 mtt180 -95.88 -7.17 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.665 0.269 . . . . 72.52 111.008 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -92.31 135.88 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 74.51 110.374 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.579 ' HG ' HG11 ' A' ' 68' ' ' VAL . 4.9 mt -95.58 128.1 42.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.761 -0.654 . . . . 62.2 110.746 174.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 23.1 t80 -89.23 113.8 25.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 70.41 109.199 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.4 mm -106.35 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.293 -0.412 . . . . 65.14 110.398 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 141.12 15.74 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.15 -1.024 . . . . 72.32 112.207 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.92 46.68 2.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.594 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.688 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.3 pp -117.34 170.03 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.58 0.229 . . . . 73.32 110.4 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.512 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 12.2 m -80.74 167.56 19.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.999 0.428 . . . . 73.55 111.058 -173.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.66 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 97.5 m-85 -78.71 -5.27 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.232 0.539 . . . . 53.11 110.694 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -95.4 -7.1 39.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.65 . . . . 74.52 109.353 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.582 ' HB ' HD12 ' A' ' 21' ' ' LEU . 23.6 m -78.02 102.8 7.58 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.182 -0.917 . . . . 72.15 110.276 176.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 28' ' ' GLU . 8.9 t -106.83 172.08 7.02 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.811 -0.44 . . . . 74.51 109.811 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' HA ' HG23 ' A' ' 45' ' ' VAL . 1.6 m-20 -50.15 -49.23 52.81 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.77 0.669 . . . . 72.25 111.74 -173.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 pt-20 -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 71.01 111.153 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.209 0.528 . . . . 75.11 109.931 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' HA ' HG21 ' A' ' 79' ' ' VAL . 4.9 tt -75.48 -50.39 15.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.43 -0.804 . . . . 75.51 110.227 -173.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 ptm180 -60.74 -41.31 95.14 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.777 -0.369 . . . . 75.21 110.348 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 m -65.47 -22.54 66.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.876 0.37 . . . . 72.15 111.362 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -81.76 -46.19 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.763 0.316 . . . . 72.42 110.638 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' HB2' HD11 ' A' ' 40' ' ' LEU . 31.4 m-85 -79.15 -13.97 59.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.186 0.439 . . . . 75.44 112.186 -174.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 56.6 mt-10 -78.66 13.32 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 73.01 111.066 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.7 mt-30 -88.93 -33.64 17.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.209 0.528 . . . . 74.11 110.396 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 27.0 m-90 -102.79 9.64 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.871 -0.604 . . . . 73.5 110.556 -177.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.55 -170.73 39.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.256 -0.973 . . . . 53.32 113.345 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 32.3 m -106.87 124.29 49.4 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.503 0.321 . . . . 74.22 110.608 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.4 mt -93.94 108.26 20.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.103 -0.332 . . . . 74.34 110.103 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.9 p -82.99 -19.14 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.453 0.644 . . . . 63.55 109.72 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.577 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -145.82 97.28 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.119 -0.946 . . . . 62.43 109.863 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.71 143.65 49.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.65 0.262 . . . . 72.42 110.496 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 13.6 p -165.51 148.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 64.12 110.618 -178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 27' ' ' ASP . 87.5 t -113.36 139.31 39.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.836 -0.431 . . . . 72.21 109.836 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.766 ' HE1' ' C8 ' ' B' ' 5' ' ' ' G' . 24.5 mmt -82.74 128.76 34.68 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.251 -0.648 . . . . 74.5 109.251 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.57 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 27.8 mtm180 -122.67 161.55 23.62 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.551 -0.75 . . . . 70.12 111.159 -170.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.539 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 22.2 t70 -60.7 139.63 93.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 75.12 110.513 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.62 -8.74 23.22 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.717 2.278 . . . . 75.41 112.634 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -114.33 -60.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.009 0.433 . . . . 63.32 110.025 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.439 ' HB ' ' HG2' ' A' ' 53' ' ' ARG . 18.0 p -74.05 -30.72 62.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.809 -0.632 . . . . 60.01 111.006 -175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 63.42 24.21 14.04 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.424 -0.807 . . . . 73.44 110.843 -176.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 24.7 mmm180 -88.96 -65.4 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.847 -0.341 . . . . 74.52 110.793 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.66 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 28.2 t -170.5 158.7 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 72.5 110.016 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -104.11 -25.49 12.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 72.42 110.6 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.66 13.48 7.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.509 -0.853 . . . . 60.32 112.608 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.516 ' CZ ' H5'' ' B' ' 3' ' ' ' A' . 17.0 p90 -161.77 164.0 29.19 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.718 0.294 . . . . 75.32 110.715 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.4 -169.96 22.51 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.282 -0.485 . . . . 74.45 112.317 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.7 m-85 -137.56 151.96 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 71.52 111.105 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.564 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -150.15 109.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 74.15 111.08 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.7 m -94.75 119.76 33.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.704 -0.68 . . . . 72.12 109.706 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.511 ' HA ' ' O ' ' A' ' 39' ' ' THR . 46.4 m-85 -84.71 169.47 14.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.38 -0.373 . . . . 73.14 110.931 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.6 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 61.22 110.572 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.2 t -156.72 158.03 36.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.749 -0.659 . . . . 62.31 110.398 178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 27.3 m -58.31 -33.64 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 113.224 0.824 . . . . 73.4 113.224 -173.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.65 -21.07 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.674 -0.41 . . . . 74.32 111.681 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 11.5 mt-10 -74.41 -32.54 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.231 -0.655 . . . . 73.34 109.231 174.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.579 HG11 ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -63.57 -44.09 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.461 -0.791 . . . . 75.31 109.611 172.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.49 -46.99 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.454 -0.794 . . . . 70.12 110.414 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -40.1 79.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 71.01 111.398 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.16 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 73.2 111.036 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 45.5 mtt -69.02 -36.2 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.391 . . . . 65.12 110.5 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.72 -18.04 62.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.928 -0.578 . . . . 71.04 109.809 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.24 4.51 42.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.366 -0.834 . . . . 63.43 110.588 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 30.2 ttp180 -83.45 137.32 42.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 74.43 109.505 174.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 46.8 Cg_endo -66.83 128.01 9.11 Favored 'Cis proline' 0 C--N 1.344 0.326 0 C-N-CA 123.502 -1.457 . . . . 61.41 113.068 5.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.52 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 31.9 t-80 -84.89 167.52 15.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.428 -0.805 . . . . 73.11 109.934 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.512 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 4.1 tppp? -143.47 109.68 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.811 0.339 . . . . 73.43 110.977 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.6 p -138.65 128.98 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 63.21 109.86 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.512 ' OD2' ' HB2' ' A' ' 22' ' ' SER . 37.9 t70 65.14 28.1 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.634 0.73 . . . . 72.43 110.351 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.512 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 71.11 16.37 74.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.787 -0.721 . . . . 74.3 111.86 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.688 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 5.9 tpp180 -117.78 129.98 56.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.304 -0.258 . . . . 74.44 110.304 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -78.91 118.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 73.25 109.914 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 32.7 m -113.51 163.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 74.54 111.405 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.35 105.04 51.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 63.14 110.19 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 9.5 Cg_endo -88.59 114.29 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.322 2.682 . . . . 74.02 112.478 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -126.74 159.76 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.511 -0.313 . . . . 72.1 110.863 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.67 132.41 53.76 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.315 -0.254 . . . . 73.43 110.315 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.724 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.01 162.9 24.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 72.11 112.054 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.06 154.6 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.428 -0.806 . . . . 73.31 109.278 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -58.34 133.3 55.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.985 -0.376 . . . . 53.32 109.985 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.493 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -70.33 -20.3 63.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.087 0.47 . . . . 74.22 111.262 -175.352 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.42 -19.31 60.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.988 -0.551 . . . . 72.33 110.198 175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.03 -36.44 19.72 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.571 -0.74 . . . . 62.23 110.728 -178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.495 ' HB2' " O2'" ' B' ' 3' ' ' ' A' . 11.5 p -74.7 -75.94 0.15 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.024 -0.989 . . . . 74.44 112.746 -166.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 56.9 66.15 1.24 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.616 0.722 . . . . 75.22 110.403 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.547 -0.752 . . . . 71.14 109.905 177.172 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.669 " H3'" " H5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.446 -0.616 0 C4'-C3'-C2' 105.503 2.803 OUTLIER-DELTA 0.0 '__' . 74.14 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.713 " H3'" ' OP2' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 104.314 1.614 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.756 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 1 C3'-C2'-C1' 97.525 -4.417 . 0.0 OUTLIER alpha 75.14 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.84 ' H8 ' ' N7 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C1'-O4'-C4' 106.577 -3.359 . 0.0 OUTLIER alpha 74.03 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.84 ' N7 ' ' H8 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-C1' 100.383 -1.241 . 0.0 OUTLIER . 73.03 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.711 " H2'" ' H5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C3'-C2'-C1' 102.764 1.405 . 0.0 OUTLIER gamma 72.22 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.83 ' C5 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C4'-C3'-C2' 104.303 1.603 . 0.01 2g . 74.43 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.715 0.293 . . . . 53.55 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -72.21 93.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.144 0.497 . . . . 61.41 110.573 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -101.4 0.39 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.943 -0.572 . . . . 74.34 110.81 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 67.81 5.45 4.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.71 -0.677 . . . . 75.1 112.482 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.15 23.93 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.099 0.476 . . . . 75.42 110.808 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 13.1 m -69.29 146.54 96.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 73.11 110.152 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 6' ' ' SER . 37.6 Cg_exo -59.5 111.69 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.791 2.327 . . . . 74.34 112.387 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -12.87 57.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 71.43 111.092 -179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.661 ' HB3' ' HD3' ' A' ' 14' ' ' ARG . 43.8 mm-40 -86.12 113.16 50.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.146 -0.479 . . . . 75.4 109.961 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.32 136.67 76.02 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.707 2.271 . . . . 74.13 112.16 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -61.18 -35.64 77.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.772 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -51.39 -58.84 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 63.1 112.207 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -8.45 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.469 -0.492 . . . . 73.22 111.478 -171.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.661 ' HD3' ' HB3' ' A' ' 9' ' ' GLU . 50.4 mtm105 -91.51 -17.64 25.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.825 -0.435 . . . . 72.13 109.825 173.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -84.53 128.79 34.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.36 0.6 . . . . 75.14 109.835 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' HB3' HG22 ' A' ' 60' ' ' VAL . 9.7 tp -99.12 126.57 44.9 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.225 -0.898 . . . . 72.55 109.741 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 29.8 t80 -83.98 112.8 20.5 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.365 -0.606 . . . . 74.03 109.365 176.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.8 mm -104.42 92.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.951 -0.568 . . . . 71.31 109.934 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.14 142.49 15.77 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.179 -1.01 . . . . 63.42 110.921 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.966 ' HA2' " H5'" ' B' ' 1' ' ' ' U' . . . 90.17 40.52 5.78 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.357 -0.925 . . . . 75.44 112.055 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -105.48 166.11 10.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.093 -0.706 . . . . 75.43 109.093 173.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.52 ' HA ' ' C5 ' ' B' ' 1' ' ' ' U' . 97.0 p -75.64 175.22 8.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 75.41 111.678 -170.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.789 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 82.5 m-85 -85.8 2.19 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.274 0.559 . . . . 74.33 109.798 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -108.42 -10.68 15.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 75.44 109.704 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.584 ' HB ' HD11 ' A' ' 21' ' ' LEU . 58.6 m -64.57 126.37 27.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.757 -0.656 . . . . 64.0 109.918 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -131.82 165.79 23.04 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.144 -0.317 . . . . 73.13 110.144 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.3 m-20 -52.09 -40.84 61.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 71.12 111.647 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.35 -41.58 76.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 72.22 111.686 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 p -77.98 -31.27 50.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.145 -0.622 . . . . 75.24 109.535 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 HG21 ' A' ' 45' ' ' VAL . 18.2 tp -61.73 -46.03 91.41 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.744 -0.662 . . . . 74.34 109.494 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.544 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.0 ptm180 -66.94 -43.22 83.76 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.373 -0.531 . . . . 74.31 109.898 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -62.34 -33.04 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.823 0.344 . . . . 72.42 111.703 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.405 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 21.8 m80 -81.62 -15.97 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.859 0.318 . . . . 72.42 111.859 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' HB2' HD13 ' A' ' 40' ' ' LEU . 40.3 m-85 -112.23 -19.22 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.793 0.664 . . . . 63.13 112.793 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 41.4 mt-10 -77.34 13.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.463 0.649 . . . . 63.23 110.344 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' H ' ' C ' ' A' ' 34' ' ' PHE . 46.3 mt-30 -79.58 -37.44 36.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 72.14 110.751 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.405 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 24.4 m-90 -107.39 10.52 29.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.499 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.545 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.37 -165.99 38.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.075 -1.06 . . . . 39.47 113.442 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.1 m -115.53 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 122.569 0.348 . . . . 75.13 110.566 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 35.1 mt -92.96 109.91 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.206 0.527 . . . . 75.53 110.487 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.8 p -81.16 -17.79 48.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.499 -0.773 . . . . 74.01 110.094 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.529 ' HB3' ' HG1' ' A' ' 61' ' ' THR . 25.4 t70 -148.31 105.39 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 64.35 110.519 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.31 131.5 56.5 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 110.019 -0.363 . . . . 73.44 110.019 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.34 125.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 72.4 111.115 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG21 HD22 ' A' ' 30' ' ' LEU . 74.6 t -100.46 145.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.468 -0.568 . . . . 71.42 109.468 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.49 ' HE3' " H1'" ' B' ' 4' ' ' ' G' . 25.2 mmt -87.19 130.97 34.34 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.865 -0.42 . . . . 70.31 109.865 176.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.518 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -111.03 144.72 39.7 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.326 -0.397 . . . . 74.5 109.987 -179.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.481 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 15.6 t70 -55.27 138.79 66.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.374 -0.83 . . . . 74.11 110.634 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.45 -15.94 52.46 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.551 2.168 . . . . 71.04 112.061 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.94 -62.3 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 64.54 110.134 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 53' ' ' ARG . 18.1 p -72.4 -33.1 66.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 75.43 111.106 -174.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 65.21 29.75 11.66 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.109 -0.496 . . . . 72.5 111.471 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -108.57 -66.14 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.77 -0.372 . . . . 62.22 110.766 175.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.789 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 43.9 t -152.1 149.05 28.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.882 0.372 . . . . 74.42 110.529 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 41.7 mtp180 -102.84 1.65 34.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.484 174.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.07 13.12 66.86 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.654 -0.784 . . . . 62.11 112.705 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.943 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 27.8 p90 -160.98 157.15 25.88 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.044 0.45 . . . . 72.03 111.2 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.71 -177.15 28.65 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.707 -0.679 . . . . 52.44 111.472 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -135.45 150.81 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.313 0.578 . . . . 73.42 111.311 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.92 111.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.203 -0.908 . . . . 74.32 110.618 -176.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -94.53 114.37 26.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.484 -0.78 . . . . 74.11 110.333 -176.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 39' ' ' THR . 64.9 m-85 -80.11 166.36 21.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.785 0.326 . . . . 74.25 110.907 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.12 -34.22 70.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.241 0.543 . . . . 73.23 110.016 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 67' ' ' GLU . 1.7 t -143.19 154.25 43.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.456 -0.793 . . . . 61.25 109.893 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -55.72 -26.07 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.41 111.569 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.37 -43.85 75.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.341 0.591 . . . . 74.41 110.91 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.9 mt-10 -71.47 -34.25 70.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 72.04 110.333 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 HG11 HD11 ' A' ' 16' ' ' LEU . 48.3 t -58.57 -48.47 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.551 -0.749 . . . . 73.21 110.285 174.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -57.61 -45.69 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.789 -0.641 . . . . 65.22 110.361 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.84 80.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 74.02 111.246 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.24 78.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.384 -0.371 . . . . 72.12 111.172 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.4 mtt -69.93 -31.47 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 74.24 110.725 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -80.98 -12.28 59.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 72.31 111.182 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.64 10.68 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.887 0.375 . . . . 75.15 111.741 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.64 ' HD3' ' HD2' ' A' ' 86' ' ' PRO . 87.2 mtm180 -75.42 157.74 84.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.396 -0.366 . . . . 72.13 110.825 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 21.0 Cg_exo -65.09 130.01 10.21 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.932 -1.278 . . . . 71.24 112.888 1.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -80.77 147.9 30.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 64.32 110.202 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.0 tppt? -131.89 112.59 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 74.35 110.528 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.5 t -124.82 119.35 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.249 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.75 25.04 14.04 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.537 0.684 . . . . 41.22 110.701 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.553 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 81.85 7.66 87.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.592 -0.813 . . . . 72.13 111.99 -177.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -113.39 125.73 54.57 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.493 0.317 . . . . 74.41 110.184 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.63 114.6 10.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.822 -0.436 . . . . 72.4 109.822 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -103.76 172.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.953 -0.567 . . . . 70.32 110.703 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 44.7 tt0 -126.43 105.88 24.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 74.13 109.675 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.64 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 10.5 Cg_endo -88.47 111.19 0.63 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.251 2.634 . . . . 70.14 112.403 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -121.29 159.25 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.941 -0.572 . . . . 72.31 110.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -60.77 131.82 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.097 -0.334 . . . . 74.24 110.097 177.276 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' HA ' ' C2 ' ' B' ' 3' ' ' ' A' . . . -76.05 141.7 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.37 0.605 . . . . 64.33 111.704 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.35 117.05 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.4 -0.818 . . . . 74.45 109.566 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.8 t -47.25 141.39 4.62 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.338 0.399 . . . . 75.12 111.431 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -59.31 -24.36 63.23 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.268 0.556 . . . . 74.44 110.289 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -70.83 -32.0 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.56 -0.745 . . . . 74.12 110.135 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.68 -36.5 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.149 -0.932 . . . . 64.35 110.656 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 p -72.98 136.59 45.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.445 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -74.35 -47.95 31.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.397 -0.365 . . . . 73.31 110.813 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.769 -0.634 . . . . 74.4 110.195 177.249 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.966 " H5'" ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O5'-C5'-C4' 111.665 1.046 . 0.0 '__' . 73.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.943 H5'' ' HD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C4'-C3'-C2' 104.439 1.739 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.796 " H1'" ' C2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C4'-C3' 104.124 -0.983 . 0.0 OUTLIER . 74.32 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.796 ' C2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.421 -1.176 1 C1'-O4'-C4' 104.65 -5.501 OUTLIER-DELTA 0.0 OUTLIER delta 74.11 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.954 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 105.434 2.734 OUTLIER-DELTA 0.0 OUTLIER delta-1 74.22 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.954 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 105.327 2.627 . 0.0 OUTLIER delta-1 73.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.802 ' C5 ' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 103.458 -1.458 . 0.0 OUTLIER gamma 72.02 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.947 0.403 . . . . 64.11 110.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -129.68 -174.95 3.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.067 -0.716 . . . . 62.25 109.067 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.801 ' HA ' HG22 ' A' ' 41' ' ' THR . 57.6 mttp -73.66 110.22 7.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 75.12 110.52 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 m 70.87 98.08 0.07 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 114.732 -1.122 . . . . 74.04 111.231 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HG2' ' CB ' ' A' ' 63' ' ' ALA . 50.8 mm-40 -71.47 97.07 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.752 -0.833 . . . . 73.03 108.752 174.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 18.4 m 65.11 104.96 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 123.8 0.687 . . . . 73.42 109.688 -170.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 6' ' ' SER . 1.6 Cg_endo -44.64 107.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.573 2.849 . . . . 74.32 112.763 -176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.645 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 28.2 ttmt -101.86 -23.92 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.654 -0.703 . . . . 72.14 110.338 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.668 ' HB3' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 97.49 -84.38 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 125.164 1.386 . . . . 73.12 112.596 173.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.668 ' CD ' ' HB3' ' A' ' 9' ' ' GLU . 18.6 Cg_endo -56.57 121.24 9.69 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.808 1.672 . . . . 73.44 113.174 -169.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -19.89 42.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 74.04 109.857 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.7 tt0 -56.6 -57.56 11.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.047 -0.524 . . . . 63.04 111.633 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 13' ' ' LEU . 3.7 pp -74.1 -10.88 60.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.101 0.477 . . . . 73.42 110.836 -173.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -102.78 -6.57 22.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.96 -0.563 . . . . 74.51 110.537 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.2 ttmm -95.39 130.4 42.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.52 0.676 . . . . 72.23 110.888 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HB2' HG23 ' A' ' 60' ' ' VAL . 6.2 mt -97.19 131.06 44.29 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.094 -0.957 . . . . 73.35 110.478 174.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 14.7 t80 -90.53 115.27 27.54 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.044 -0.724 . . . . 73.21 109.044 175.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 mm -107.24 97.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.829 0.347 . . . . 72.41 110.31 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.578 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -105.95 143.98 15.77 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.139 -1.029 . . . . 60.53 112.425 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.04 47.58 5.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 74.41 112.761 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.64 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.7 pp -109.43 170.52 8.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.732 0.266 . . . . 73.12 110.318 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.6 p -73.03 164.93 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.204 0.526 . . . . 45.1 111.238 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.91 3.35 34.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.28 0.562 . . . . 75.32 109.969 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -104.08 -9.02 19.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.595 -0.73 . . . . 74.43 109.048 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.583 ' HB ' HD12 ' A' ' 21' ' ' LEU . 90.3 m -65.08 99.63 0.38 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.546 -0.752 . . . . 73.03 110.751 176.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 t -94.68 157.35 16.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.874 -0.603 . . . . 74.13 109.601 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.9 -42.59 59.42 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.628 0.58 . . . . 73.33 111.542 -174.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.34 -40.39 93.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 74.35 111.252 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.557 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 34.6 m -71.17 -38.72 72.15 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.443 -0.577 . . . . 64.4 109.443 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' HG ' HG22 ' A' ' 45' ' ' VAL . 2.9 tm? -61.46 -49.12 78.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.282 -0.872 . . . . 71.23 109.878 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptm180 -64.65 -40.43 95.44 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.588 -0.445 . . . . 75.52 110.284 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -59.59 -38.39 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 75.32 111.507 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' HD2' ' O ' ' A' ' 29' ' ' SER . 66.6 m-70 -78.45 -20.47 50.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.629 -0.26 . . . . 75.12 111.592 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' HB2' HD12 ' A' ' 40' ' ' LEU . 39.1 m-85 -103.2 -20.46 14.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.37 0.507 . . . . 74.11 112.37 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 81.2 mt-10 -75.99 13.42 0.87 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.066 0.46 . . . . 75.23 110.989 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.7 mt-30 -90.79 -25.34 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 72.12 111.106 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.543 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.0 m-90 -112.84 13.33 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 73.44 110.274 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.77 -166.03 39.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.528 -0.844 . . . . 61.12 112.952 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 53.8 m -115.87 120.95 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.472 0.309 . . . . 61.35 110.355 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 60' ' ' VAL . 31.0 mt -90.71 106.52 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.391 -0.524 . . . . 74.14 110.736 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.801 HG22 ' HA ' ' A' ' 3' ' ' LYS . 59.6 p -75.29 -28.48 59.76 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 73.32 109.347 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.607 ' HB3' ' HG1' ' A' ' 61' ' ' THR . 19.9 t70 -139.91 98.99 3.58 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.762 -1.108 . . . . 73.22 110.275 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.08 132.98 55.21 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.7 -0.481 . . . . 74.42 109.7 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG22 " H1'" ' B' ' 5' ' ' ' G' . 7.3 p -162.81 129.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.296 0.569 . . . . 74.45 111.382 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG22 ' HG ' ' A' ' 30' ' ' LEU . 54.1 t -92.72 131.78 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.487 -0.931 . . . . 73.41 108.487 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.675 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 21.0 mmt -68.07 123.98 22.16 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.792 0.806 . . . . 73.25 110.115 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -127.24 148.97 50.2 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.329 -1.305 . . . . 74.44 109.307 -173.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.31 138.66 74.34 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 123.711 0.632 . . . . 61.41 110.848 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.24 -13.88 36.76 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.472 2.115 . . . . 74.23 112.828 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -105.38 -54.72 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.151 0.501 . . . . 74.54 109.837 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -84.42 -27.59 27.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.662 -0.699 . . . . 71.15 111.104 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm 64.76 28.26 12.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.819 -0.628 . . . . 74.02 110.931 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.67 156.12 17.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 65.44 109.95 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 m -63.83 133.01 52.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.132 0.491 . . . . 72.33 111.288 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -84.0 -17.36 40.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 71.43 112.332 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.51 10.89 18.68 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.056 -1.068 . . . . 73.03 112.48 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.728 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 7.1 p90 -162.06 161.29 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.138 -0.319 . . . . 74.21 110.138 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 45' ' ' VAL . . . -162.26 -167.71 23.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.946 -0.645 . . . . 64.55 112.764 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -134.95 156.8 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 74.14 111.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.98 109.95 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-N 115.723 -0.671 . . . . 74.2 111.142 178.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.607 ' HG1' ' HB3' ' A' ' 42' ' ' ASP . 6.0 m -93.93 115.33 27.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.768 -0.651 . . . . 74.13 109.34 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' HE2' HD11 ' A' ' 16' ' ' LEU . 47.6 m-85 -82.61 171.56 13.92 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.268 -0.423 . . . . 74.22 110.344 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' CB ' ' HG2' ' A' ' 5' ' ' GLU . . . -70.15 -26.53 63.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 54.03 109.786 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.499 HG23 ' HG2' ' A' ' 66' ' ' GLU . 9.3 t -161.83 174.62 12.91 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 73.42 110.388 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.12 -36.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.798 0.666 . . . . 74.43 112.798 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.499 ' HG2' HG23 ' A' ' 64' ' ' THR . 2.9 pm0 -62.76 -19.61 64.15 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.901 0.334 . . . . 74.13 111.901 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.2 mt-10 -80.08 -42.83 22.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.765 -0.458 . . . . 74.44 109.765 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' HG ' ' A' ' 16' ' ' LEU . 26.4 t -56.54 -45.35 82.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 72.24 110.123 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.55 -45.19 73.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.313 -0.858 . . . . 64.11 110.931 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.42 87.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 62.44 110.942 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.11 69.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.294 -0.412 . . . . 73.13 110.602 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.442 ' HE1' ' HD3' ' A' ' 88' ' ' ARG . 40.1 mtt -72.32 -36.64 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.299 -0.409 . . . . 72.43 110.039 176.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.67 -9.26 57.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.068 -0.515 . . . . 72.51 110.526 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -1.33 57.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.849 -0.614 . . . . 73.54 110.608 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.624 ' HG3' ' HA ' ' A' ' 76' ' ' PRO . 43.5 ttp180 -74.03 139.92 76.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 75.11 110.092 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.624 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . 52.7 Cg_endo -68.55 123.86 6.49 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.477 -1.468 . . . . 63.21 112.896 2.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.521 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 23.9 t-80 -75.45 161.15 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 75.31 109.739 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -143.44 111.94 6.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.417 -0.356 . . . . 72.53 110.044 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -136.81 128.95 44.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.998 -0.546 . . . . 63.34 110.337 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 t70 64.07 19.82 11.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.558 -0.746 . . . . 75.34 110.711 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.66 15.52 73.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.849 -0.691 . . . . 72.54 112.176 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.64 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.8 tpt180 -119.79 132.71 55.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 75.33 110.506 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.16 122.28 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 73.3 109.861 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -120.36 164.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.103 0.477 . . . . 74.32 111.626 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -117.84 107.74 43.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.481 -0.781 . . . . 64.2 109.884 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -91.04 115.72 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.185 2.59 . . . . 75.03 112.309 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.505 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 18.5 ptpt -121.62 160.42 24.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 63.4 110.728 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.442 ' HD3' ' HE1' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.58 119.41 7.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.54 -0.541 . . . . 74.43 109.54 176.11 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -74.26 130.64 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.124 0.488 . . . . 62.53 111.073 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 150.03 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.962 -0.563 . . . . 73.32 109.865 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 30.6 t -52.52 130.0 30.56 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.823 -0.436 . . . . 73.01 109.823 174.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.584 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -64.06 -29.67 70.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.141 -0.689 . . . . 75.23 109.141 177.005 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.73 -36.01 81.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.798 -0.637 . . . . 74.2 110.112 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.599 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 10.8 t70 -61.75 -49.55 75.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.922 -0.581 . . . . 73.42 110.085 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -68.86 -24.3 64.33 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.292 -0.867 . . . . 72.22 110.294 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 92' ' ' ARG . 16.3 mm100 -72.1 -42.96 65.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.788 -0.642 . . . . 73.4 110.378 174.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 . . . . . 0 C--O 1.248 1.012 0 O-C-N 124.399 1.062 . . . . 72.13 110.604 -179.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.827 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.532 0.681 0 C4'-C3'-C2' 105.537 2.837 OUTLIER-DELTA 0.0 '__' . 74.15 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.827 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 C3'-C2'-C1' 100.705 -0.883 . 0.0 OUTLIER zeta-1 75.52 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.802 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 C3'-C2'-C1' 98.86 -2.933 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.802 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 98.648 -3.169 . 0.0 OUTLIER gamma 75.25 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 1.014 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-C2' 108.025 1.16 . 0.0 OUTLIER gamma 75.21 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.014 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 107.428 0.734 . 0.0 OUTLIER . 73.04 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.885 " H2'" " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-C2' 107.811 1.008 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.714 0.292 . . . . 61.04 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -88.21 -37.58 15.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.768 -0.827 . . . . 72.44 108.768 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HZ3' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -137.72 -159.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.251 -0.886 . . . . 74.2 108.736 173.242 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 m -68.64 95.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.671 -0.492 . . . . 73.32 109.671 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -149.58 26.69 0.83 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 61.24 110.407 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -74.19 122.59 87.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.63 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.77 2.313 . . . . 73.55 111.874 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 11.6 mptt -102.37 43.0 1.1 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.351 -0.386 . . . . 75.0 111.49 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.71 102.02 9.31 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.184 -0.673 . . . . 73.31 109.184 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 76.9 Cg_exo -49.21 137.38 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.065 2.51 . . . . 75.33 112.578 -174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' HG2' ' HE2' ' A' ' 15' ' ' LYS . 45.0 tt0 -63.1 -40.1 96.64 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 120.781 -0.368 . . . . 63.15 110.563 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -60.34 -30.97 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.29 0.567 . . . . 73.43 110.255 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 10' ' ' PRO . 14.7 tp -69.32 -41.04 77.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.592 -0.731 . . . . 74.52 110.488 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -90.97 -5.0 56.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.212 -0.904 . . . . 72.1 111.161 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' ' HG2' ' A' ' 11' ' ' GLU . 23.6 ttmm -96.49 131.99 42.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.014 -0.539 . . . . 74.41 109.871 -177.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 60' ' ' VAL . 7.6 tp -100.1 128.48 46.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.418 -0.81 . . . . 72.21 109.953 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 26.7 t80 -85.9 117.73 24.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.168 -0.679 . . . . 73.22 109.168 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 9.7 mm -107.95 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.61 -0.268 . . . . 74.25 110.337 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.32 140.43 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.861 . . . . 72.01 110.946 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 112.53 1.77 26.02 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.344 -0.931 . . . . 61.32 112.749 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 25' ' ' THR . 3.4 pp -82.46 163.03 21.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 73.21 111.114 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.7 p -77.83 177.71 7.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 74.31 111.304 -172.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.681 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 40.3 m-85 -85.76 2.66 44.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 74.33 109.837 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.81 -9.53 18.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 65.14 109.862 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 21' ' ' LEU . 37.2 m -71.85 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.438 -0.801 . . . . 71.04 111.032 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 t -84.88 161.9 19.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 74.54 110.311 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.3 p-10 -59.01 -42.97 91.4 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.037 0.446 . . . . 62.41 111.252 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.19 -42.21 98.17 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.513 -0.767 . . . . 72.42 111.383 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.541 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 32.6 t -70.08 -39.13 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.251 -0.648 . . . . 63.43 109.251 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD23 ' CG2' ' A' ' 25' ' ' THR . 2.4 tm? -63.59 -44.06 95.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 74.32 109.525 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 20.3 ptt85 -67.27 -39.13 86.03 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.766 -0.374 . . . . 75.11 110.127 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -60.66 -34.89 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 75.21 110.927 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.541 ' HD2' ' O ' ' A' ' 29' ' ' SER . 62.3 m-70 -81.17 -28.31 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.603 -0.271 . . . . 73.13 111.523 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 40.4 m-85 -95.54 -15.89 22.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.495 0.554 . . . . 75.24 112.495 -177.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 64.9 mt-10 -80.4 10.43 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 75.14 110.673 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -82.84 -36.23 25.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.618 -0.719 . . . . 72.3 111.028 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -106.0 1.73 26.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.696 0.284 . . . . 74.02 110.968 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -179.2 174.13 46.12 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.019 -1.086 . . . . 53.23 113.24 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 66.3 m -93.69 126.63 38.97 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.571 0.348 . . . . 71.23 110.74 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 60' ' ' VAL . 25.8 mt -98.07 111.02 23.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 73.03 110.27 175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -83.12 -21.96 33.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.426 0.631 . . . . 65.51 109.984 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 31.5 t70 -141.23 102.7 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.382 -0.826 . . . . 74.1 110.328 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.3 p -112.59 128.71 56.44 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.388 -0.369 . . . . 75.33 110.017 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.548 HG22 ' C4 ' ' B' ' 5' ' ' ' G' . 5.4 p -150.77 131.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.288 0.566 . . . . 72.15 110.968 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 27' ' ' ASP . 54.4 t -115.69 135.53 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.999 -0.546 . . . . 73.44 109.761 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.795 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 21.6 mmt -78.18 135.86 37.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.972 -0.558 . . . . 74.22 110.172 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.55 156.12 41.33 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.462 -0.57 . . . . 75.25 109.462 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.91 137.74 97.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.894 -0.593 . . . . 74.25 109.576 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.2 -14.44 40.55 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.374 2.049 . . . . 72.24 112.58 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.97 -48.91 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.4 -0.364 . . . . 74.41 110.311 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.9 p -85.44 -30.39 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 72.41 110.94 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 68.31 22.53 8.01 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.677 -0.692 . . . . 72.14 110.955 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -100.0 157.38 16.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.642 -0.708 . . . . 74.03 109.219 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 13.4 m -56.6 143.12 37.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.406 0.441 . . . . 71.34 111.613 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -87.36 8.04 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 72.24 111.834 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 88.45 5.92 74.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.564 -0.826 . . . . 70.43 112.59 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.774 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 11.4 p90 -158.46 161.37 37.43 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.991 0.424 . . . . 72.52 111.312 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 -178.98 31.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.512 -0.767 . . . . 72.03 111.455 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.529 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.4 m-85 -134.47 148.74 50.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 75.44 111.18 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.605 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -143.96 111.49 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.42 -0.809 . . . . 73.23 111.104 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.1 m -90.75 115.4 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 74.5 109.343 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 65.1 m-85 -81.78 164.06 21.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 75.13 110.736 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.682 -0.69 . . . . 74.32 110.801 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 67' ' ' GLU . 3.0 t -160.07 163.21 34.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.417 -0.811 . . . . 74.44 109.834 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.59 -28.44 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 63.45 111.259 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.72 -34.29 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 74.44 111.108 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.0 mm-40 -68.97 -39.11 79.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.815 -0.629 . . . . 73.32 109.834 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG11 HD13 ' A' ' 16' ' ' LEU . 36.3 t -60.64 -44.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.158 -0.928 . . . . 75.32 111.196 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.52 -46.06 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.406 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.551 -0.295 . . . . 74.12 111.08 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.83 89.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.18 -0.464 . . . . 55.12 111.034 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.1 mtt -66.97 -37.04 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.363 -0.381 . . . . 73.02 110.676 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 84.2 m-20 -69.15 -17.02 63.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 75.2 110.898 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.33 23.98 1.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 71.31 111.346 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -72.35 146.65 89.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 75.33 110.224 178.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.52 130.37 18.21 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.694 -1.378 . . . . 72.24 111.425 -2.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.036 -0.529 . . . . 74.45 110.364 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -141.2 103.52 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.367 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 130.46 71.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.976 -0.556 . . . . 75.43 109.906 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.35 28.24 17.73 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.699 0.762 . . . . 73.3 109.859 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.99 17.81 72.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 73.14 111.905 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -114.71 135.83 53.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.232 -0.284 . . . . 63.33 110.232 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.35 121.27 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.931 -0.396 . . . . 75.22 109.931 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -117.52 170.27 7.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.009 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HB2' ' H3 ' ' B' ' 2' ' ' ' U' . 37.1 mt-10 -118.65 107.82 42.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.941 -0.572 . . . . 75.25 109.804 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.493 ' HB2' HD22 ' A' ' 16' ' ' LEU . 18.8 Cg_endo -89.55 106.14 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 123.064 2.509 . . . . 72.43 111.826 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.758 ' HZ1' ' HB3' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -118.85 167.6 11.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.879 -175.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.32 141.69 58.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.997 -0.372 . . . . 75.21 109.997 177.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.783 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -88.07 143.3 27.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.178 0.513 . . . . 70.3 111.702 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 91' ' ' SER . 14.7 p -95.97 164.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.028 -0.73 . . . . 73.54 109.028 174.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.791 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 14.9 m -52.86 129.86 31.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.153 -0.314 . . . . 74.32 110.153 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.512 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 6.8 ptp180 -65.97 -30.66 71.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.169 0.509 . . . . 73.13 109.663 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 -30.26 67.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 72.3 110.14 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.791 ' HB2' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -64.36 -37.3 87.03 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.545 -0.752 . . . . 64.44 110.354 -178.012 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.459 ' HB2' ' N2 ' ' B' ' 4' ' ' ' G' . 33.3 m -98.88 5.26 47.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 72.14 111.509 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -109.24 -2.76 17.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.51 -0.313 . . . . 75.25 110.729 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' HD2' ' OXT' ' A' ' 97' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.753 -0.642 . . . . 61.11 109.892 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.818 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 O4'-C4'-C3' 103.914 -1.133 . 0.0 '__' . 74.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.818 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 100.309 -1.323 . 0.0 OUTLIER . 75.42 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.783 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 98.675 -3.139 . 0.0 OUTLIER . 75.32 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.927 " H4'" ' OP1' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C1'-O4'-C4' 106.299 -3.667 OUTLIER-EPSILON 0.0 OUTLIER alpha 75.13 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 1.04 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 C3'-C2'-C1' 100.415 -1.206 . 0.0 OUTLIER epsilon-1 75.45 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.04 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 108.051 1.179 . 0.0 OUTLIER gamma 75.13 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.764 " H4'" ' OP2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C4'-C3'-C2' 103.374 0.674 . 0.0 OUTLIER . 73.25 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.81 0.338 . . . . 75.43 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -107.9 -26.39 10.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.322 0.582 . . . . 71.42 109.853 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -121.61 92.39 3.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.368 -0.833 . . . . 72.01 109.658 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -130.7 9.9 5.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.792 -0.64 . . . . 74.31 110.193 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.26 172.26 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.12 -176.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 54.0 m -147.38 110.09 3.93 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.333 -0.394 . . . . 74.2 110.383 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 6' ' ' SER . 31.1 Cg_endo -63.82 151.94 82.89 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.854 2.369 . . . . 74.32 112.465 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.08 -89.36 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 73.43 109.944 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 tt0 -165.78 -61.24 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 119.453 -0.308 . . . . 74.42 110.711 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 9' ' ' GLU . 9.8 Cg_endo -52.31 117.08 3.27 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.436 2.091 . . . . 71.25 112.948 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.199 -0.91 . . . . 73.04 110.9 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.15 -28.76 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.031 0.443 . . . . 70.22 110.968 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD22 ' HG2' ' A' ' 10' ' ' PRO . 15.1 tp -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.49 0.662 . . . . 63.33 110.186 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -85.39 -6.29 59.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.904 -1.044 . . . . 70.04 110.618 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.8 ttmm -99.63 134.92 41.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.465 0.65 . . . . 73.04 110.62 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.572 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.71 134.18 42.98 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.081 -0.963 . . . . 75.11 110.863 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -93.71 111.83 23.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.868 -0.79 . . . . 63.24 108.868 173.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 16' ' ' LEU . 13.1 mm -105.88 98.38 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.368 -0.378 . . . . 74.21 110.164 -175.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.534 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -109.77 144.17 16.74 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.02 -1.086 . . . . 65.24 112.177 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.864 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 86.73 43.73 5.99 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.761 -0.733 . . . . 65.14 112.584 176.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -105.7 165.2 11.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 74.5 111.129 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.3 t -59.93 149.96 30.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 73.02 110.945 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.13 -12.02 61.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.155 0.502 . . . . 64.4 110.378 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.55 -7.73 49.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.329 0.585 . . . . 72.31 109.903 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.572 ' HB ' HD13 ' A' ' 21' ' ' LEU . 87.1 m -75.41 96.17 3.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.452 -0.795 . . . . 73.51 110.857 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.414 HG21 ' HG2' ' A' ' 28' ' ' GLU . 9.6 t -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.607 -0.724 . . . . 72.3 109.443 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.8 p-10 -52.3 -45.66 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.88 0.472 . . . . 44.15 111.985 -171.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' HG2' HG21 ' A' ' 26' ' ' THR . 11.5 pt-20 -63.99 -34.69 78.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.798 -0.637 . . . . 72.03 111.701 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -79.5 -35.97 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.729 -0.841 . . . . 73.24 108.729 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD21 HG22 ' A' ' 25' ' ' THR . 2.9 tm? -64.96 -43.07 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.067 . . . . 72.15 109.551 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.8 ptm180 -66.71 -42.2 86.74 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.739 -0.384 . . . . 74.33 109.995 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.92 -27.12 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.52 111.329 -176.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -79.48 -48.38 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.375 . . . . 73.53 110.678 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 40' ' ' LEU . 29.1 m-85 -75.94 -18.81 59.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.369 0.507 . . . . 74.5 112.369 -174.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.3 mt-10 -75.74 11.88 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 74.23 111.084 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 43.7 mt-30 -85.47 -30.19 23.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.101 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 22.0 m-90 -108.33 14.29 24.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 75.01 110.273 -177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.79 -159.97 32.73 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.608 -0.806 . . . . 74.05 112.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 m -122.85 124.77 44.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.652 0.263 . . . . 72.22 110.662 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD23 ' HB ' ' A' ' 60' ' ' VAL . 26.1 mt -91.43 104.3 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 70.0 110.431 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.9 p -71.8 -23.2 61.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.833 0.825 . . . . 71.51 109.393 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.595 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 24.7 t70 -142.24 125.07 16.03 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.739 -1.118 . . . . 52.05 109.44 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.4 p -144.22 131.29 20.53 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.992 0.425 . . . . 73.5 110.371 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.659 HG12 ' C4 ' ' B' ' 5' ' ' ' G' . 10.8 p -164.55 138.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 73.55 110.857 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG13 ' HA ' ' A' ' 27' ' ' ASP . 34.0 m -108.43 151.28 10.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.762 -0.829 . . . . 75.03 108.762 172.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.892 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 22.5 mmt -82.83 141.7 32.09 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.114 -0.699 . . . . 64.32 109.114 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -109.14 157.34 18.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.786 -0.45 . . . . 72.13 109.786 -177.06 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.32 139.45 96.39 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.59 -0.522 . . . . 73.42 109.59 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.28 -16.09 47.47 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.317 2.011 . . . . 71.11 112.082 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.96 -60.21 1.64 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.173 -0.467 . . . . 73.31 109.895 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -76.31 -30.28 57.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 74.24 111.19 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HZ3' ' HB3' ' A' ' 52' ' ' LYS . 2.9 mmmp? 65.22 26.77 12.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.901 -0.591 . . . . 74.13 110.431 -176.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 9.9 mpt_? -95.58 -76.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 75.23 110.908 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -149.43 149.27 30.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.983 0.42 . . . . 72.02 111.583 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mmt180 -101.91 -8.21 21.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.65 -0.704 . . . . 72.11 110.971 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.662 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 90.61 18.17 49.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 74.54 112.519 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.769 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 22.0 p90 -170.85 161.94 7.34 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.41 -0.218 . . . . 73.34 110.41 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.36 -171.64 25.45 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.078 -0.582 . . . . 72.11 112.69 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -133.46 153.66 51.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 75.13 110.806 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -149.18 112.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 75.51 111.662 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.0 m -98.48 116.0 29.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.588 -0.733 . . . . 72.12 109.477 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.408 ' HE2' HD11 ' A' ' 16' ' ' LEU . 47.3 m-85 -80.24 176.49 9.72 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.126 0.489 . . . . 74.13 111.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.3 64.39 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.769 -0.65 . . . . 75.1 109.791 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.6 t -148.94 163.88 36.17 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.579 -0.737 . . . . 74.35 110.733 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.743 HG21 HH21 ' A' ' 88' ' ' ARG . 2.7 p -59.75 -32.03 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 73.5 111.528 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.89 -38.68 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 75.52 111.542 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 27.3 mt-10 -72.16 -36.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 73.44 110.686 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 72' ' ' MET . 21.0 t -59.02 -46.29 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.023 -0.535 . . . . 71.3 110.549 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.44 -41.26 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 74.52 110.932 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.53 87.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.726 0.298 . . . . 71.1 110.789 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.49 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.115 0.483 . . . . 74.44 110.449 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.453 ' HE3' ' HD3' ' A' ' 88' ' ' ARG . 35.0 mtt -70.13 -38.5 75.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.482 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -69.33 -16.13 63.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 74.23 110.857 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.19 -2.17 47.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 75.0 110.941 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 73.5 ttt180 -67.72 141.61 95.15 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.072 -0.513 . . . . 74.42 109.912 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 2.8 Cg_exo -71.93 117.47 3.79 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.903 -1.29 . . . . 72.14 112.52 4.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.636 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 25.0 t-80 -75.21 133.06 41.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.206 -0.906 . . . . 75.51 110.142 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -117.85 110.27 17.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.655 0.264 . . . . 72.4 110.359 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.78 124.39 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.673 -0.24 . . . . 64.14 110.805 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 67.82 -58.31 0.44 Allowed 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.254 0.971 . . . . 71.2 111.179 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.84 33.62 0.03 OUTLIER Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.714 -1.355 . . . . 53.3 109.714 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -148.53 121.83 9.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.483 -0.859 . . . . 74.32 109.34 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 1.3 p -78.27 119.43 27.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.523 0.678 . . . . 62.34 110.586 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 21' ' ' LEU . 24.6 m -99.95 -178.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.972 -1.013 . . . . 73.52 111.554 -171.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -127.63 104.11 21.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.382 -0.826 . . . . 60.15 109.443 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -90.55 106.27 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.026 2.484 . . . . 75.31 112.459 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -113.98 165.47 12.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.629 . . . . 62.4 110.537 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.743 HH21 HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -67.51 139.95 57.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.547 -0.297 . . . . 75.02 110.333 176.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' ' O6 ' ' B' ' 4' ' ' ' G' . . . -75.74 150.18 37.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.35 0.595 . . . . 74.3 111.032 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 HG11 ' C2 ' ' B' ' 3' ' ' ' A' . 12.8 p -114.36 162.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.339 -0.846 . . . . 74.3 108.952 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -56.57 132.12 50.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.116 0.484 . . . . 73.23 111.257 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.631 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -70.37 -6.35 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.629 -0.714 . . . . 74.11 110.585 175.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -88.31 -41.33 12.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.653 . . . . 74.22 110.301 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.21 -46.72 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.764 -0.653 . . . . 71.55 110.423 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.516 ' HB2' ' H22' ' B' ' 4' ' ' ' G' . 20.5 m -101.47 102.5 13.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 64.13 110.744 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 48.2 mt-30 -115.81 -51.09 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 52.3 110.073 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.649 176.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.864 H5'' ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 108.002 1.144 . 0.0 '__' . 74.14 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.695 H5'' ' CD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C4'-C3'-C2' 104.754 2.054 . 0.0 OUTLIER gamma 74.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.769 " H5'" ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 98.507 -3.325 . 0.09 0b . 75.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.729 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C4'-C3'-C2' 104.439 1.739 . 0.0 OUTLIER gamma 74.44 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.892 ' C8 ' ' HE3' ' A' ' 46' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C4'-C3'-C2' 104.822 2.122 . 0.0 OUTLIER '7D dist 6n' 74.51 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.1 " H1'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C4'-C3'-C2' 103.707 1.007 . 0.01 5q . 75.32 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 1.1 " H3'" " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-C2' 107.86 1.043 . 0.0 OUTLIER . 74.53 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.224 -0.287 . . . . 75.14 110.224 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -89.36 -41.07 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.102 0.477 . . . . 62.11 109.796 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.665 ' HB3' ' HZ2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -123.6 141.9 51.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 73.32 109.575 176.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.8 m -149.34 90.15 1.71 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.009 0.433 . . . . 75.51 110.91 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.72 -43.51 79.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.667 -0.864 . . . . 64.15 108.667 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -104.08 105.42 48.68 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.12 -1.067 . . . . 74.33 108.12 169.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.87 84.91 0.24 Allowed 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.736 2.29 . . . . 61.03 113.665 -172.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -84.54 81.4 8.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.398 1.094 . . . . 65.42 108.984 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -121.86 156.63 59.05 Favored Pre-proline 0 C--N 1.312 -1.051 0 CA-C-N 113.894 -1.503 . . . . 71.42 107.05 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.27 99.24 0.04 OUTLIER 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.343 2.028 . . . . 72.45 112.609 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.0 -10.3 52.5 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.911 0.862 . . . . 73.22 109.205 177.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.3 -51.1 71.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.56 -1.2 . . . . 75.33 110.66 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.92 -14.65 44.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.734 0.302 . . . . 74.11 111.159 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -93.81 -4.31 50.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 73.21 110.683 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.0 ttmp? -97.7 130.76 44.66 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.876 -0.602 . . . . 74.52 110.406 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.577 ' HB2' HG12 ' A' ' 60' ' ' VAL . 6.1 mt -98.43 130.79 45.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 73.24 110.371 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.57 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 17.4 t80 -90.33 110.14 21.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.793 -0.639 . . . . 74.22 109.315 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG21 HD23 ' A' ' 21' ' ' LEU . 15.8 mm -105.81 102.27 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-O 120.963 0.411 . . . . 71.53 110.373 -176.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.706 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -113.52 149.2 18.65 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.165 -1.017 . . . . 43.03 112.248 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 32.78 24.59 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.811 -0.709 . . . . 61.43 112.596 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.5 pp -96.46 168.11 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 72.34 111.649 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 30.9 t -60.73 145.04 50.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.323 -0.853 . . . . 61.52 110.727 -178.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.26 -5.33 38.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.097 0.475 . . . . 75.32 110.341 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -103.24 3.9 36.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.635 -0.711 . . . . 75.15 109.477 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.583 ' HB ' HD13 ' A' ' 21' ' ' LEU . 88.5 m -84.95 101.09 12.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.08 -0.963 . . . . 64.31 110.136 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' HG22 ' A' ' 45' ' ' VAL . 14.2 t -107.76 -172.46 2.07 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.734 -0.469 . . . . 62.05 109.734 176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -45.11 -58.36 3.28 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 123.411 0.684 . . . . 74.31 112.225 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.55 -40.15 96.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.06 -0.518 . . . . 73.24 110.99 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -65.59 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.196 0.522 . . . . 72.15 109.884 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD22 HG12 ' A' ' 45' ' ' VAL . 29.3 tp -76.95 -48.52 17.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.627 -0.715 . . . . 74.53 110.328 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 40' ' ' LEU . 5.0 ptp180 -63.87 -40.42 96.51 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.698 -0.401 . . . . 73.5 110.609 -174.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -66.07 -31.48 72.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.676 0.25 . . . . 61.25 111.676 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 18.6 m80 -89.85 -4.27 57.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.7 -0.4 . . . . 74.2 111.78 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' A' ' 36' ' ' GLN . 32.0 m-85 -112.92 -21.38 11.16 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 73.4 111.863 176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 40.2 mt-10 -73.58 11.08 0.88 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.967 0.413 . . . . 64.34 111.221 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 34' ' ' PHE . 14.1 mt-30 -90.91 -18.64 24.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 75.42 110.91 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.53 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -118.83 15.51 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.216 0.531 . . . . 74.24 109.997 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.485 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.58 -170.5 38.17 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.139 -1.029 . . . . 43.01 113.505 177.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -107.94 123.86 49.27 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 122.761 0.424 . . . . 73.44 110.471 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.576 ' HG ' ' HG2' ' A' ' 35' ' ' GLU . 8.8 mt -92.36 109.04 20.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.066 -0.654 . . . . 74.33 110.435 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 p -78.4 -30.49 47.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.917 -0.583 . . . . 75.43 109.439 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 13.1 m-20 -140.12 92.4 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 74.33 111.12 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -109.62 137.61 47.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.709 -0.678 . . . . 71.4 109.176 175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.708 HG12 ' C4 ' ' B' ' 5' ' ' ' G' . 14.0 p -164.8 146.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.919 -0.313 . . . . 75.54 110.695 -175.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 HD22 ' A' ' 30' ' ' LEU . 34.2 m -117.17 156.63 18.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.152 -0.314 . . . . 74.43 110.152 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.576 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 24.1 mmt -101.29 135.33 42.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.504 -0.554 . . . . 73.03 109.504 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.8 167.19 10.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.951 0.405 . . . . 74.33 110.134 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 15.6 t70 -73.61 139.16 77.48 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.543 -0.753 . . . . 74.43 109.306 174.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.89 -7.96 20.67 Favored 'Trans proline' 0 C--N 1.332 -0.332 0 C-N-CA 122.149 1.899 . . . . 64.02 112.844 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.45 -53.07 2.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.192 0.52 . . . . 75.22 109.855 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 p -85.11 -29.5 24.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.673 -0.694 . . . . 71.23 111.071 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.6 mmmt 68.12 23.46 7.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.508 -0.769 . . . . 73.54 110.968 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -99.71 162.06 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.907 -0.775 . . . . 73.44 108.907 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -53.09 132.4 38.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.072 0.463 . . . . 63.41 110.708 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -85.22 16.67 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.022 -0.536 . . . . 74.32 111.534 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.556 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 80.49 18.69 70.43 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 43.04 112.966 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.735 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 3.3 p90 -167.07 157.92 11.82 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.852 0.358 . . . . 62.42 110.424 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.47 -172.61 29.06 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 116.163 -0.472 . . . . 72.34 111.978 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.454 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 96.0 m-85 -132.92 151.26 52.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.696 . . . . 75.2 111.549 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG12 ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -143.49 107.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.917 -1.038 . . . . 70.35 110.174 -178.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 11.0 m -100.44 113.76 26.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.686 -0.688 . . . . 74.12 110.064 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.441 ' HE2' HD11 ' A' ' 16' ' ' LEU . 62.5 m-85 -80.28 174.22 11.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.048 -0.524 . . . . 70.44 110.753 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.91 -34.11 62.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.214 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 66' ' ' GLU . 3.8 t -147.38 158.37 43.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.643 -0.708 . . . . 73.31 110.234 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.24 -32.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.698 . . . . 75.23 112.803 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 64' ' ' THR . 11.4 pt-20 -63.31 -28.46 70.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.793 0.33 . . . . 73.13 111.201 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -74.27 -40.29 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.24 109.896 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.461 HG12 ' HG ' ' A' ' 16' ' ' LEU . 24.8 t -57.81 -45.28 87.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 75.12 109.742 172.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.28 -41.07 92.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.319 -0.855 . . . . 73.23 110.871 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.3 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 70.0 110.878 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.63 74.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 63.13 110.411 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.511 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 27.7 mtt -69.56 -33.95 73.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 72.1 110.55 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.55 -18.27 62.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.065 0.459 . . . . 72.4 110.383 175.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.25 4.93 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.879 -0.601 . . . . 74.45 111.746 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.583 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 9.1 ptm180 -80.73 155.45 73.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.923 -0.399 . . . . 74.25 109.923 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.583 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 27.9 Cg_endo -62.22 128.19 5.54 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.472 -1.47 . . . . 73.01 112.277 0.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.506 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 27.3 t-80 -78.24 156.55 29.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 72.41 110.084 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -140.0 112.34 7.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.143 -0.48 . . . . 71.41 109.931 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.46 131.01 65.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.29 -0.413 . . . . 74.31 110.359 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 32.1 t70 69.1 -57.89 0.51 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.279 0.987 . . . . 64.11 110.935 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 170.07 29.58 0.02 OUTLIER Glycine 0 C--N 1.315 -0.617 0 N-CA-C 110.561 -1.015 . . . . 74.53 110.561 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -136.36 133.26 36.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.271 -0.465 . . . . 75.01 110.259 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 65.5 t -77.01 122.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.628 -0.508 . . . . 74.33 109.628 174.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG12 ' HB3' ' A' ' 21' ' ' LEU . 33.1 m -119.02 167.65 12.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 75.13 111.648 -175.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.684 ' HB3' ' H3 ' ' B' ' 2' ' ' ' U' . 28.1 tt0 -117.76 106.94 45.17 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.404 -0.817 . . . . 74.1 109.488 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -92.43 106.21 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.122 2.548 . . . . 71.42 112.168 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 9.3 ptpp? -113.14 156.99 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.434 -0.348 . . . . 73.54 110.827 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.92 126.55 27.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 73.45 109.555 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.738 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -78.69 147.99 33.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.288 0.566 . . . . 72.5 111.836 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.04 135.56 28.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.375 -0.829 . . . . 73.41 109.341 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -56.04 139.7 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.813 -0.355 . . . . 62.53 110.078 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -63.0 -25.28 68.31 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.402 -0.592 . . . . 75.03 109.402 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -70.69 -36.73 73.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.264 -0.88 . . . . 73.3 110.125 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.04 -15.92 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.261 -0.881 . . . . 74.12 111.247 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -71.26 103.23 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.131 -0.486 . . . . 52.1 110.406 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.49 -65.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 73.32 110.073 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.987 -0.53 . . . . 74.42 109.572 176.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.556 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O4'--C4' 1.446 -0.545 0 C3'-C2'-C1' 104.073 2.859 OUTLIER-DELTA 0.0 '__' . 74.21 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.706 ' C2 ' ' HA3' ' A' ' 19' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C4'-C3'-C2' 103.867 1.167 . 0.0 OUTLIER gamma 75.14 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.738 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 C3'-C2'-C1' 98.419 -3.423 . 0.0 OUTLIER gamma 73.11 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.606 ' O6 ' ' HB3' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.976 1 C3'-C2'-C1' 97.031 -4.966 . 0.0 OUTLIER alpha 74.44 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.708 ' C4 ' HG12 ' A' ' 44' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 102.861 -1.885 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.748 " O3'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-C2' 107.559 0.828 . 0.0 OUTLIER gamma 73.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.748 " H3'" " O3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 108.197 1.284 . 0.0 OUTLIER . 72.41 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.426 0.155 . . . . 73.22 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -82.24 -20.77 36.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 74.21 110.891 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -69.97 150.08 47.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.993 -0.743 . . . . 62.15 108.993 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -56.19 -36.94 68.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 52.32 112.187 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 8' ' ' LYS . 6.3 pt-20 -135.85 -176.71 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.119 0.485 . . . . 62.41 111.348 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.702 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 29.7 t -161.0 -57.98 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.403 -0.817 . . . . 65.32 110.82 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 6' ' ' SER . 85.9 Cg_endo -98.42 0.15 1.21 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.552 2.168 . . . . 73.32 114.82 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 14' ' ' ARG . 5.9 mptp? 61.71 -85.31 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.795 0.438 . . . . 74.35 110.282 -170.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.939 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 18.6 mm-40 85.94 -89.35 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.097 1.359 . . . . 75.22 113.563 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.939 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 15.9 Cg_endo -93.22 114.08 0.26 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 121.93 1.754 . . . . 73.43 113.498 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.04 -32.27 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.92 -0.582 . . . . 73.51 110.424 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -56.36 -58.4 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 71.51 111.849 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD21 ' HG2' ' A' ' 10' ' ' PRO . 3.9 pp -80.36 -7.84 59.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.273 . . . . 75.35 111.64 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 8' ' ' LYS . 70.5 mtt180 -103.32 -2.24 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.037 0.446 . . . . 74.5 110.681 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.565 ' HZ3' ' HB3' ' A' ' 15' ' ' LYS . 7.2 ttpm? -103.11 135.17 45.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.811 -0.631 . . . . 73.32 110.09 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HB3' HG22 ' A' ' 60' ' ' VAL . 8.4 tp -105.13 128.59 53.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.731 -0.668 . . . . 74.33 110.201 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.714 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 17.4 t80 -87.86 120.19 28.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.922 -0.581 . . . . 75.14 109.508 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.546 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.1 mm -111.94 93.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.374 -0.376 . . . . 73.52 110.142 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 146.61 16.54 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.156 -1.021 . . . . 71.53 111.849 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.718 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 94.95 23.03 21.61 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.779 . . . . 61.12 112.534 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 ' HB ' ' A' ' 25' ' ' THR . 3.0 pp -91.54 164.54 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.173 -0.306 . . . . 73.1 110.173 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 m -75.33 164.33 26.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.298 -0.41 . . . . 70.12 111.185 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 60.5 m-85 -76.49 -5.61 48.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.607 0.718 . . . . 61.41 109.586 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.32 -17.6 32.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.703 -1.135 . . . . 70.24 109.436 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.566 ' HB ' HD11 ' A' ' 21' ' ' LEU . 94.6 m -74.46 115.02 13.52 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.121 -0.945 . . . . 71.44 110.771 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.481 HG21 ' HG2' ' A' ' 28' ' ' GLU . 5.3 t -118.35 171.56 8.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.318 -0.856 . . . . 74.35 109.389 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -48.09 43.27 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.605 0.362 . . . . 74.54 111.653 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' HG2' HG21 ' A' ' 26' ' ' THR . 13.3 pt-20 -64.65 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 70.43 111.533 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 89.5 p -82.62 -29.13 30.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.218 -0.593 . . . . 65.01 109.765 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.21 -52.13 20.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.942 -0.572 . . . . 74.02 109.815 -177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 3.8 ptm180 -67.38 -38.43 84.72 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.475 -0.49 . . . . 74.42 110.761 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -62.01 -32.43 72.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.698 0.285 . . . . 74.34 111.162 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.427 ' HD2' ' O ' ' A' ' 29' ' ' SER . 51.8 m-70 -72.41 -44.54 62.32 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.894 -0.322 . . . . 71.12 110.522 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 50.4 m-85 -80.13 -13.08 59.55 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.49 0.552 . . . . 74.35 112.49 -175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 34.5 mt-10 -76.74 3.3 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.073 0.463 . . . . 74.02 111.124 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.4 mt-30 -80.08 -33.7 38.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.841 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.3 m-90 -105.83 10.49 32.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.334 -0.394 . . . . 75.3 110.553 -178.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.574 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 168.11 -174.83 42.99 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.093 -1.051 . . . . 65.11 113.497 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.7 m -108.89 120.8 43.59 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 122.536 0.334 . . . . 64.33 110.466 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.592 HD23 ' HB ' ' A' ' 60' ' ' VAL . 28.0 mt -89.56 103.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.016 0.436 . . . . 72.32 110.341 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.7 p -71.33 -28.72 64.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.639 -0.709 . . . . 63.01 109.969 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.537 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 33.5 t70 -139.08 107.64 5.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 75.34 110.247 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 31.3 p -113.65 149.6 34.4 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.815 -0.439 . . . . 53.5 109.815 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG11 ' N3 ' ' B' ' 5' ' ' ' G' . 12.9 p -173.19 140.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.214 0.53 . . . . 74.31 111.018 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -120.61 139.72 47.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.579 . . . . 75.22 109.779 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.664 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 1.2 mpt? -83.36 137.02 34.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.092 -0.503 . . . . 75.34 110.275 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' A' ' 53' ' ' ARG . 10.9 mmt180 -107.27 150.8 26.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.934 -0.576 . . . . 75.24 109.793 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.475 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 9.8 t70 -58.84 135.71 87.03 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.547 -0.751 . . . . 63.32 109.231 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.09 -14.56 44.95 Favored 'Trans proline' 0 C--N 1.332 -0.296 0 C-N-CA 122.119 1.88 . . . . 64.41 112.47 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -105.15 -56.34 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.432 . . . . 73.13 110.185 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -79.71 -30.51 41.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 63.2 110.889 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.9 mmmt 63.75 25.42 14.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.577 -0.738 . . . . 73.43 110.901 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.557 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 9.1 mpt_? -94.16 -73.09 0.58 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.072 -0.513 . . . . 73.53 110.441 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.562 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 33.9 t -157.74 153.34 26.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.143 -0.48 . . . . 71.3 109.721 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 62.6 mtt180 -99.75 -2.55 34.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.381 -0.372 . . . . 74.15 111.268 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.626 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 87.55 16.7 59.79 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.31 -0.948 . . . . 74.21 112.262 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.761 ' CE1' H5'' ' B' ' 3' ' ' ' A' . 27.9 p90 -164.2 161.25 22.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.02 0.438 . . . . 73.3 110.951 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.39 -176.84 31.9 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.525 -0.762 . . . . 71.44 111.315 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -135.04 152.46 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.197 0.522 . . . . 54.43 111.242 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.592 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -146.59 113.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.367 -0.833 . . . . 71.42 110.846 -179.435 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.537 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 27.8 m -97.01 121.6 39.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.588 -0.733 . . . . 72.45 109.417 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.38 173.53 10.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.123 0.487 . . . . 73.42 111.288 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -38.52 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 74.2 109.469 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.524 HG22 ' HG3' ' A' ' 67' ' ' GLU . 1.5 t -141.29 156.19 45.9 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.643 -0.708 . . . . 75.55 109.869 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.91 -22.72 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 72.31 111.0 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.96 -38.51 76.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 70.42 110.497 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.6 mt-10 -74.13 -38.41 63.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.765 -0.652 . . . . 73.14 110.417 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 16' ' ' LEU . 31.4 t -54.97 -45.84 76.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.792 -0.64 . . . . 74.15 110.545 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.65 -46.3 87.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 74.31 110.721 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.08 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.251 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.11 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 64.23 110.904 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.527 ' HE2' ' HD3' ' A' ' 88' ' ' ARG . 38.7 mtt -68.35 -41.26 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 72.51 110.531 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.42 -14.25 62.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.265 -0.425 . . . . 73.24 110.864 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.6 18.88 2.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.966 -0.561 . . . . 71.05 111.536 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -83.5 150.84 60.93 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.232 -0.284 . . . . 75.15 110.232 177.209 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 14.5 Cg_exo -68.81 120.9 4.56 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.568 -1.43 . . . . 62.12 111.494 -2.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.525 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 43.1 t-80 -72.68 142.3 48.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.217 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.82 115.37 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.896 0.379 . . . . 73.22 110.841 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG23 ' CE2' ' A' ' 34' ' ' PHE . 86.3 t -127.43 122.77 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 74.45 109.849 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 25' ' ' THR . 3.2 m-20 63.39 22.56 13.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.781 0.432 . . . . 61.51 111.651 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.97 14.35 79.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 64.21 111.739 -176.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -115.98 129.94 56.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.909 -0.404 . . . . 74.55 109.909 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.11 106.33 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.896 0.379 . . . . 71.54 110.14 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.7 m -95.75 178.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.294 -0.412 . . . . 64.32 110.528 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.88 95.04 17.65 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 61.13 110.051 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.454 ' HB2' HD23 ' A' ' 16' ' ' LEU . 69.7 Cg_endo -81.56 120.59 3.58 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.836 2.357 . . . . 74.32 112.284 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -134.26 164.51 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.58 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.527 ' HD3' ' HE2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -58.94 118.29 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 74.21 109.542 177.212 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HA ' ' C2 ' ' B' ' 3' ' ' ' A' . . . -76.97 104.94 7.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 52.31 111.757 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.0 t -56.62 141.24 13.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.377 -0.829 . . . . 75.21 110.65 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.472 ' HB3' ' OE2' ' A' ' 93' ' ' GLU . 50.1 m -49.38 132.43 20.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.96 0.41 . . . . 65.33 111.625 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -64.51 -16.79 63.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.98 -0.554 . . . . 74.11 110.802 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.472 ' OE2' ' HB3' ' A' ' 91' ' ' SER . 9.1 mp0 -64.51 -43.56 93.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 71.35 109.956 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.85 -46.38 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.509 -0.769 . . . . 73.13 111.219 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.651 ' HB2' ' N2 ' ' B' ' 4' ' ' ' G' . 15.5 m -110.89 101.73 10.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.049 -0.523 . . . . 71.13 111.484 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.74 -25.9 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.239 0.543 . . . . 73.44 110.401 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.902 0 CA-C-O 117.823 -1.084 . . . . 74.32 110.489 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.825 " H3'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 O4'-C1'-C2' 107.937 1.098 . 0.0 '__' . 73.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.825 H5'' " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C4'-C3'-C2' 104.18 1.48 . 0.0 OUTLIER . 75.5 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.845 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 C3'-C2'-C1' 98.722 -3.087 . 0.0 OUTLIER gamma 75.01 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.845 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C1'-O4'-C4' 106.918 -2.98 OUTLIER-DELTA 0.0 OUTLIER delta 75.53 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 1.057 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C4'-C3'-C2' 103.767 1.067 . 0.0 OUTLIER delta-1 75.14 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.057 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C4'-C3'-C2' 103.638 0.938 . 0.0 OUTLIER alpha 74.45 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.971 ' C6 ' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 107.897 1.069 . 0.0 OUTLIER . 74.52 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.231 -0.285 . . . . 71.43 110.231 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -89.87 115.01 26.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.153 0.501 . . . . 73.23 109.826 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.6 -177.85 4.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.955 -0.566 . . . . 75.33 109.753 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.685 ' HB3' ' HB2' ' A' ' 8' ' ' LYS . 45.4 m -86.44 114.12 22.94 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.817 -0.438 . . . . 73.12 109.817 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.38 118.44 12.26 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.577 -0.527 . . . . 71.42 109.577 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m 67.44 132.01 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.236 0 O-C-N 124.087 0.867 . . . . 75.4 109.435 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.43 105.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.316 2.678 . . . . 70.34 112.232 -176.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 4' ' ' SER . 0.9 OUTLIER -82.1 89.49 6.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.948 0.88 . . . . 74.15 109.257 -176.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.89 124.28 10.07 Favored Pre-proline 0 C--N 1.306 -1.293 0 CA-C-N 114.218 -1.355 . . . . 73.22 107.989 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.2 Cg_endo -43.67 108.34 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.51 2.807 . . . . 75.23 112.978 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 -61.59 -22.38 65.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 75.32 110.174 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -51.74 -61.0 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.454 -0.793 . . . . 73.44 112.145 176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -81.75 -6.78 59.35 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.703 -0.399 . . . . 73.1 111.143 -172.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -94.57 -10.98 30.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.231 0.538 . . . . 73.2 109.656 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -95.03 139.42 31.41 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.503 -0.771 . . . . 74.11 109.715 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 60' ' ' VAL . 7.6 tp -110.12 128.06 55.24 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.436 -0.802 . . . . 65.22 109.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CE2' " H5'" ' B' ' 3' ' ' ' A' . 25.8 t80 -84.65 109.48 18.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 74.34 109.477 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mm -106.43 103.21 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.055 -0.521 . . . . 75.2 110.466 -174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.7 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -119.49 157.86 15.3 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.066 -1.064 . . . . 70.21 111.864 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.713 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 83.47 27.81 38.15 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.65 -0.785 . . . . 38.77 112.086 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.7 pp -96.14 -179.92 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 73.12 110.986 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -81.59 151.9 27.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.658 -0.701 . . . . 73.45 110.818 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.04 -6.99 49.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 74.55 110.148 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 14.8 mt-10 -92.15 -9.82 41.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.391 -0.822 . . . . 72.12 109.062 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.572 ' HB ' HD13 ' A' ' 21' ' ' LEU . 28.5 m -74.46 114.03 12.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.185 -0.916 . . . . 71.24 109.993 175.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -119.92 -178.06 3.56 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 74.13 109.398 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.73 -51.26 29.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.139 0.422 . . . . 74.41 112.139 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.73 -36.62 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.392 -0.367 . . . . 63.34 111.216 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -70.07 -37.6 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.311 0.577 . . . . 73.14 109.57 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.34 -53.47 35.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.257 -0.883 . . . . 74.23 109.707 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.1 ptm180 -67.64 -42.0 82.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.276 -0.57 . . . . 74.25 110.953 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 m -64.18 -35.14 79.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.774 0.321 . . . . 75.05 111.486 -176.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.486 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 14.0 m80 -79.87 -12.98 59.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.522 -0.308 . . . . 72.43 111.721 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' HG23 ' A' ' 79' ' ' VAL . 27.2 m-85 -108.58 -21.69 12.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.542 0.571 . . . . 74.45 112.542 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.557 ' HG2' HD12 ' A' ' 40' ' ' LEU . 48.5 mt-10 -75.15 15.01 0.47 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.117 0.484 . . . . 75.12 111.215 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 34' ' ' PHE . 44.0 mt-30 -87.12 -32.87 19.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.918 -0.583 . . . . 73.43 110.692 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.2 m-90 -104.25 11.09 35.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.897 -0.592 . . . . 74.14 110.602 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.506 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.19 -166.97 39.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.416 -0.897 . . . . 62.24 112.689 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 121.9 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.371 0.269 . . . . 73.31 110.42 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.4 mp -90.47 114.64 26.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.47 -0.492 . . . . 73.33 109.883 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.89 -24.26 35.8 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.658 0.742 . . . . 75.14 109.374 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.589 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 6.8 m-20 -141.95 130.26 22.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.509 -1.223 . . . . 72.43 108.935 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.9 p -144.99 142.6 29.94 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.159 -0.682 . . . . 64.3 109.159 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG13 ' C4 ' ' B' ' 5' ' ' ' G' . 8.7 p -166.92 152.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.317 0.579 . . . . 73.21 111.737 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.34 140.3 45.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.046 -1.094 . . . . 74.43 108.046 169.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.603 ' HE3' " H1'" ' B' ' 4' ' ' ' G' . 22.8 mmt -81.97 138.65 34.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.058 -0.719 . . . . 75.12 109.058 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.531 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -111.13 158.42 18.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.349 -0.387 . . . . 73.11 110.686 -173.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.4 t70 -60.79 137.68 93.35 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.035 -0.728 . . . . 72.21 109.035 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.25 -15.32 47.87 Favored 'Trans proline' 0 C--N 1.333 -0.246 0 C-N-CA 122.338 2.025 . . . . 75.52 112.348 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -107.03 -50.45 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 72.51 110.489 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.7 p -88.39 -31.12 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.55 111.695 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 14.8 mmmm 64.54 30.24 12.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.815 -0.63 . . . . 73.22 111.771 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.64 -75.34 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.261 -0.575 . . . . 73.32 110.844 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -158.13 144.12 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.071 0.462 . . . . 72.23 111.212 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.813 ' HE ' ' HE2' ' A' ' 57' ' ' PHE . 5.7 mtp180 -102.44 11.97 37.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.938 -0.573 . . . . 73.54 110.953 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.64 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 79.09 19.39 72.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.31 113.384 174.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.813 ' HE2' ' HE ' ' A' ' 55' ' ' ARG . 15.8 p90 -166.14 161.36 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 74.13 110.266 176.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.36 -168.05 20.05 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.161 -0.542 . . . . 64.14 112.223 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.88 153.96 50.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.242 0.544 . . . . 71.33 110.773 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.705 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.0 p -147.15 124.72 3.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.35 -0.841 . . . . 75.52 110.044 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 6.8 m -115.98 117.86 31.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.405 -0.361 . . . . 75.42 110.268 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 70.1 m-85 -83.99 172.69 11.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.029 -0.532 . . . . 75.25 110.698 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.44 65.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.502 0.667 . . . . 73.03 109.815 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 HG22 ' HG3' ' A' ' 67' ' ' GLU . 4.2 t -148.57 155.36 41.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.939 -1.028 . . . . 70.44 109.493 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG11 ' HG ' ' A' ' 13' ' ' LEU . 31.1 m -64.78 -18.65 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.283 -0.417 . . . . 74.32 111.846 -176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -63.55 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.457 . . . . 72.54 110.485 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.8 mt-10 -77.96 -33.92 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.959 -0.564 . . . . 72.0 109.651 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 HG11 HD12 ' A' ' 16' ' ' LEU . 16.2 t -59.28 -44.96 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.532 -0.758 . . . . 74.3 110.106 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.52 -45.76 84.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 64.31 110.5 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.43 89.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.173 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.91 85.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 71.13 110.884 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 42.0 mtt -64.3 -45.12 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.085 0.469 . . . . 70.24 110.511 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -69.75 -12.69 61.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 75.41 110.981 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.84 -6.07 59.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 75.33 111.172 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.63 ' HG2' ' HA ' ' A' ' 76' ' ' PRO . 7.0 tmm_? -56.53 138.74 75.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 74.12 110.506 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.63 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 10.6 Cg_exo -71.14 126.74 10.99 Favored 'Cis proline' 0 C--N 1.35 0.628 0 C-N-CA 123.839 -1.317 . . . . 63.04 112.904 1.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -80.37 153.36 28.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.296 -0.865 . . . . 75.43 110.092 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -132.74 116.63 16.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.786 0.327 . . . . 73.31 110.421 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.486 HG23 ' CE2' ' A' ' 34' ' ' PHE . 93.4 t -129.9 120.07 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.143 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.592 ' OD2' ' HB2' ' A' ' 24' ' ' GLU . 18.2 t70 60.67 35.82 19.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.406 0.622 . . . . 74.34 110.892 177.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.87 14.18 80.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.901 -0.666 . . . . 62.43 112.423 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -124.13 134.02 53.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.25 -0.278 . . . . 73.52 110.25 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.64 113.49 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.48 -0.563 . . . . 74.04 109.48 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 21' ' ' LEU . 29.0 m -99.89 159.43 3.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.638 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HB3' ' H3 ' ' B' ' 2' ' ' ' U' . 38.4 tt0 -115.56 101.67 54.25 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.068 -0.515 . . . . 72.22 109.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.429 ' HB2' HD22 ' A' ' 16' ' ' LEU . 56.3 Cg_endo -92.52 113.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.388 2.726 . . . . 71.45 113.013 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -124.0 162.18 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.32 110.234 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.07 136.01 57.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.18 -0.304 . . . . 75.12 110.18 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.643 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.97 164.67 22.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.475 0.655 . . . . 74.43 112.023 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.0 t -112.79 150.94 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.054 -0.975 . . . . 75.34 109.192 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -58.04 130.79 48.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.627 -0.509 . . . . 74.12 109.627 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -63.21 -32.66 74.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.411 -0.358 . . . . 75.55 110.914 -173.351 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.21 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 71.23 110.132 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.56 -41.7 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 74.33 110.846 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -80.9 -18.99 45.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.282 -0.872 . . . . 60.02 110.869 -170.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 92' ' ' ARG . 16.2 mm100 -71.86 94.77 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 74.31 110.537 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.749 -0.643 . . . . 74.43 109.668 177.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.855 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 102.651 1.279 . 0.0 '__' . 72.42 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.855 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 103.47 0.77 . 0.0 OUTLIER . 73.1 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.738 H5'' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 C3'-C2'-C1' 103.003 1.67 . 0.0 OUTLIER gamma 74.43 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.619 ' H8 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.421 -1.196 0 C1'-O4'-C4' 107.576 -2.248 . 0.0 OUTLIER gamma 74.12 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.808 " H5'" ' H6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.048 0 C4'-C3'-C2' 103.78 1.08 . 0.0 OUTLIER gamma 73.5 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.808 ' H6 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C3'-C2'-C1' 100.584 -1.018 . 0.0 OUTLIER alpha 74.54 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.68 ' C5 ' " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O4'-C1'-C2' 107.597 0.855 . 0.0 OUTLIER gamma 70.21 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.937 0.398 . . . . 61.34 110.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -94.89 105.94 17.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.063 -0.517 . . . . 74.53 110.269 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -79.59 148.03 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.763 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.1 t -90.53 -41.79 11.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.018 -0.734 . . . . 64.11 109.018 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -107.03 111.48 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 71.35 110.523 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -80.94 116.24 61.12 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.921 -0.581 . . . . 72.01 110.045 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.53 0.7 9.71 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 123.113 2.542 . . . . 72.4 112.389 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.845 ' HA ' ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -84.44 70.13 10.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.454 0.645 . . . . 74.33 111.746 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.916 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 34.4 mt-10 -64.35 -58.26 14.57 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 64.44 109.931 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.916 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 25.8 Cg_endo -90.13 104.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.048 1.832 . . . . 72.05 110.846 170.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 -70.35 -24.72 63.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.9 -0.591 . . . . 74.01 110.054 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -55.92 -57.98 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.031 0.443 . . . . 64.04 111.18 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -82.27 -9.86 59.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 74.12 111.785 -170.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.845 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 37.9 mtt85 -104.16 -2.2 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.482 -0.327 . . . . 75.53 110.874 177.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.3 ttmm -95.54 139.72 31.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.259 0.552 . . . . 65.43 109.861 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.593 ' HB3' HG13 ' A' ' 60' ' ' VAL . 10.8 tp -106.11 125.87 51.51 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.512 -0.767 . . . . 74.21 109.968 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -87.28 120.59 28.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.926 -0.579 . . . . 73.11 109.623 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.7 mm -112.32 96.92 5.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.31 -0.405 . . . . 75.24 110.54 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.8 146.01 16.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.378 -0.915 . . . . 71.32 111.638 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.596 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 97.96 14.72 38.71 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.754 -0.736 . . . . 72.53 112.797 176.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -86.65 165.76 15.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.791 0.296 . . . . 74.11 110.688 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -79.08 172.81 13.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 61.13 111.132 -173.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' HA ' ' OG ' ' A' ' 54' ' ' SER . 50.8 m-85 -82.54 -2.38 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.557 0.694 . . . . 75.23 109.563 175.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -98.23 -7.11 29.87 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.099 -0.955 . . . . 73.42 109.104 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.574 ' HB ' HD13 ' A' ' 21' ' ' LEU . 50.1 m -77.21 93.8 4.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.385 -0.825 . . . . 65.02 110.324 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.8 t -95.52 168.81 10.46 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.907 -0.588 . . . . 74.34 109.591 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' HA ' HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -41.48 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 74.34 111.329 -172.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.2 pt-20 -64.91 -39.15 93.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 72.23 110.852 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -70.47 -37.47 74.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 64.44 109.958 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD21 HG12 ' A' ' 45' ' ' VAL . 29.6 tp -65.14 -54.01 36.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.462 -0.79 . . . . 71.43 110.432 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 4.6 ptp180 -60.59 -38.0 83.2 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.421 -0.354 . . . . 74.34 110.192 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.3 m -61.19 -39.42 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 73.22 111.186 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.4 m170 -84.5 -4.97 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.838 0.31 . . . . 75.52 111.838 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 79' ' ' VAL . 41.9 m-85 -111.57 -17.65 13.0 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.609 -0.436 . . . . 74.12 111.882 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 57.7 mt-10 -75.78 4.05 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.48 . . . . 73.41 110.419 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 48.2 mt-30 -75.2 -43.82 49.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.972 -0.558 . . . . 73.34 110.976 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.48 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 26.2 m-90 -99.82 5.2 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 74.14 111.244 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 174.77 -179.13 46.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.082 -1.056 . . . . 72.21 113.275 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -101.24 124.24 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.365 0.266 . . . . 73.34 110.91 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 60' ' ' VAL . 8.5 mt -90.75 111.38 22.73 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.304 -0.558 . . . . 71.33 110.14 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -76.51 -24.48 53.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.663 0.744 . . . . 72.25 109.146 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.668 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 17.0 t70 -144.43 146.41 32.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.606 -1.179 . . . . 70.23 109.131 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.0 t -169.84 141.71 2.3 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.213 -0.662 . . . . 54.44 109.213 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.757 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 12.6 p -169.53 148.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.883 -0.414 . . . . 71.1 109.883 -177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' A' ' 27' ' ' ASP . 27.8 m -106.74 157.28 7.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.935 -0.395 . . . . 75.22 109.935 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.76 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 21.9 mmt -92.55 140.12 29.88 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.468 -0.938 . . . . 71.21 108.468 173.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.548 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -120.5 152.53 37.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.288 0.566 . . . . 71.21 110.846 -174.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.94 138.13 96.23 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.089 -0.959 . . . . 74.3 109.508 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.47 -18.48 59.84 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.161 1.907 . . . . 55.11 112.215 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.22 -56.86 2.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.338 -0.392 . . . . 75.41 110.378 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' HB ' ' HD3' ' A' ' 53' ' ' ARG . 16.7 p -77.59 -31.62 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 71.44 111.198 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HB3' ' HZ2' ' A' ' 52' ' ' LYS . 2.4 mmmp? 63.12 30.28 16.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.198 -0.456 . . . . 71.13 110.384 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 11.4 mpt_? -92.92 -80.49 0.37 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 74.44 109.555 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.737 ' OG ' ' HA ' ' A' ' 23' ' ' PHE . 53.4 p -156.05 -177.53 6.64 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.561 -0.903 . . . . 74.34 108.561 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.541 ' NH2' H5'' ' B' ' 4' ' ' ' G' . 10.6 mtm-85 -122.16 16.06 10.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.902 0.382 . . . . 71.43 110.759 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.583 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 80.76 7.4 88.61 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.558 -0.83 . . . . 71.13 112.398 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.87 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 19.3 p90 -159.33 160.23 34.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.239 0.542 . . . . 74.33 111.549 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.45 -175.13 29.03 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.321 -0.854 . . . . 70.31 111.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -135.72 153.61 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.597 0.713 . . . . 75.32 111.78 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.593 HG13 ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -150.05 116.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 75.21 108.934 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.668 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.3 m -104.95 115.35 30.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.697 -0.483 . . . . 73.12 109.697 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -75.67 -178.66 4.29 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.88 0.372 . . . . 72.41 110.677 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.62 -36.96 28.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.087 -0.708 . . . . 65.22 109.087 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.521 HG21 ' HG3' ' A' ' 67' ' ' GLU . 2.5 t -144.87 154.44 42.63 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.416 -0.811 . . . . 71.32 110.619 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.54 -29.36 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.826 0.676 . . . . 75.51 112.826 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.16 -20.08 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 70.13 111.345 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 25.0 mt-10 -83.23 -38.63 21.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.426 -0.583 . . . . 73.42 109.426 175.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 72' ' ' MET . 24.7 t -56.98 -52.32 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.329 -0.85 . . . . 71.13 110.282 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -63.57 -33.25 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.772 -0.649 . . . . 61.21 110.948 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.6 98.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 52.32 110.394 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.72 78.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 72.32 110.172 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.1 mtt -69.13 -33.73 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.576 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.2 -13.02 61.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.955 0.407 . . . . 75.34 110.694 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.41 16.45 18.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 74.35 111.293 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 8.3 ptm180 -79.3 150.5 74.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 75.11 110.296 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.6 Cg_exo -69.82 123.88 7.2 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.729 -1.363 . . . . 74.22 112.265 0.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -71.64 149.89 45.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 75.0 110.253 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 112.0 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.706 0.289 . . . . 71.33 110.724 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 34' ' ' PHE . 89.9 t -123.01 122.64 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.431 . . . . 74.4 109.96 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t70 60.84 31.18 20.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.536 0.684 . . . . 72.55 110.314 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.37 23.34 77.52 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.601 -0.809 . . . . 75.42 111.752 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -122.53 128.33 50.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.969 -0.382 . . . . 75.01 109.969 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.66 106.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.871 -0.418 . . . . 73.21 109.871 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.8 m -100.24 169.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.819 0.342 . . . . 74.41 110.661 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -125.09 104.76 29.25 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 116.182 -0.463 . . . . 75.25 109.806 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 16' ' ' LEU . 42.0 Cg_endo -91.56 113.48 0.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.546 2.831 . . . . 52.11 112.84 -177.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -123.7 161.26 25.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 74.14 110.916 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.46 126.9 28.92 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.915 -0.402 . . . . 74.15 109.915 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.604 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -71.81 154.7 41.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.219 0.533 . . . . 71.42 112.009 -176.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.83 142.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.534 -0.757 . . . . 65.13 109.385 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -54.92 123.1 12.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.964 0.411 . . . . 61.34 111.377 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.645 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.288 0.566 . . . . 74.1 109.973 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -65.22 -40.69 94.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 73.22 109.897 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.12 -39.96 53.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.634 -0.712 . . . . 73.03 110.26 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -58.5 -46.95 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.188 -0.914 . . . . 72.31 111.047 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 42.89 36.62 0.91 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.877 0.871 . . . . 65.34 111.749 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.087 -0.961 . . . . 73.35 109.613 -176.701 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.849 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O5'-C5'-C4' 111.475 0.911 . 0.0 '__' . 75.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.87 H5'' ' HD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-C1' 100.254 -1.385 . 0.0 OUTLIER gamma 73.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.7 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 C3'-C2'-C1' 100.098 -1.558 . 0.0 OUTLIER . 73.13 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.7 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C1'-O4'-C4' 106.907 -2.992 OUTLIER-DELTA 0.0 OUTLIER delta 75.34 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.76 ' C8 ' ' HE3' ' A' ' 46' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C4'-C3'-C2' 104.452 1.752 . 0.0 OUTLIER delta-1 74.11 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.714 ' H5 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 108.059 1.185 . 0.0 OUTLIER gamma 74.31 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.601 ' H6 ' " O4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 104.105 -0.996 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.644 0.259 . . . . 61.14 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -75.98 139.31 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.501 -0.318 . . . . 75.21 110.619 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm 59.23 55.67 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.594 -0.73 . . . . 75.22 110.231 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -98.37 148.92 23.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.657 -0.701 . . . . 72.51 109.449 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.3 mm-40 -73.98 82.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 73.43 110.884 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 m -94.01 105.03 15.1 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 72.52 109.477 174.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 5.1 Cg_exo -77.64 107.3 2.35 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.904 2.403 . . . . 74.42 111.465 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -139.8 111.52 7.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.69 0.757 . . . . 73.23 110.49 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.01 134.8 70.96 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 108.944 -0.761 . . . . 75.21 108.944 174.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.528 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 86.3 Cg_exo -41.32 113.96 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.644 2.896 . . . . 61.52 113.52 -172.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.26 -38.98 77.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 74.13 110.053 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 9.5 tt0 -56.26 -47.76 77.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.67 . . . . 73.31 111.887 175.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -78.4 -18.17 55.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 73.01 111.847 -172.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.484 ' HG3' HD22 ' A' ' 13' ' ' LEU . 74.6 mtm180 -95.06 -15.23 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 72.41 110.731 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.697 ' HZ3' ' HB2' ' A' ' 15' ' ' LYS . 2.8 ttmp? -81.2 129.89 34.78 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.26 0.553 . . . . 72.41 111.365 175.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HB3' HD11 ' A' ' 18' ' ' ILE . 7.8 mt -92.93 131.16 38.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.583 -0.735 . . . . 73.12 110.656 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 28.9 t80 -89.97 113.49 25.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.965 -0.754 . . . . 73.1 108.965 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.454 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.9 mm -108.77 97.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.251 -176.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.38 146.02 16.42 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.296 -0.954 . . . . 71.34 112.045 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.73 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 88.11 32.85 11.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.792 -0.718 . . . . 75.41 112.445 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.604 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.4 pp -97.67 175.38 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.061 0.457 . . . . 70.13 111.293 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.6 t -74.11 155.28 38.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.63 -0.714 . . . . 65.24 110.828 -175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.2 -2.78 39.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.109 0.48 . . . . 70.01 110.004 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.14 -9.9 27.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.348 -0.612 . . . . 71.33 109.348 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.604 ' HB ' HD12 ' A' ' 21' ' ' LEU . 45.6 m -70.94 92.56 0.93 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.506 -0.77 . . . . 73.04 110.6 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -93.15 172.34 8.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 75.15 110.212 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.489 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 17.4 t70 -51.23 -56.18 14.22 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.016 0.526 . . . . 74.44 111.772 -174.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.09 -37.22 79.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 75.24 111.06 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.473 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 22.8 t -70.81 -36.7 73.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.184 0.516 . . . . 72.35 109.693 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD21 HG12 ' A' ' 45' ' ' VAL . 45.3 tp -66.63 -52.36 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 74.12 110.143 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.584 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 16.0 ptt180 -63.83 -37.42 87.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.506 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -61.5 -36.91 81.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 74.35 111.193 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.473 ' HD2' ' O ' ' A' ' 29' ' ' SER . 73.3 m-70 -81.26 -12.52 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 70.43 111.322 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 39.1 m-85 -106.25 -14.86 15.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.219 0.451 . . . . 75.31 112.219 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.1 mt-10 -67.93 -1.26 5.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.063 0.459 . . . . 75.44 111.167 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -83.58 -20.8 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.117 -0.492 . . . . 75.23 112.042 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.413 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -116.86 12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.902 0.382 . . . . 72.1 110.207 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 160.5 -168.64 36.06 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.996 -1.097 . . . . 70.42 113.77 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -107.18 127.49 53.56 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.898 0.479 . . . . 73.53 110.759 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' CG2' ' A' ' 60' ' ' VAL . 1.1 mm? -91.84 113.32 25.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.862 -0.735 . . . . 75.4 111.538 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -85.51 -21.15 28.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.14 -0.936 . . . . 73.44 110.65 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.619 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 37.1 t70 -149.18 90.94 1.79 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 74.24 111.183 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.9 p -110.4 145.81 36.93 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.696 -0.483 . . . . 64.32 109.696 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.677 HG22 ' C4 ' ' B' ' 5' ' ' ' G' . 7.6 p -169.08 137.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 75.43 110.952 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG12 HD21 ' A' ' 30' ' ' LEU . 34.6 m -110.56 148.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.134 0.493 . . . . 70.24 110.697 175.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.655 ' HE1' " O4'" ' B' ' 4' ' ' ' G' . 1.0 OUTLIER -100.34 140.86 33.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.387 -0.824 . . . . 74.52 109.886 -179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 16.6 mtp180 -124.07 155.98 37.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.665 -0.698 . . . . 74.5 110.068 -173.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.578 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.0 t70 -55.56 137.61 69.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.38 . . . . 75.22 110.137 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.52 -15.63 41.85 Favored 'Trans proline' 0 C--N 1.331 -0.363 0 C-N-CA 122.218 1.946 . . . . 74.42 112.473 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -106.9 -54.5 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.469 . . . . 71.34 110.188 -176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 p -82.75 -27.79 30.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 64.33 110.749 -177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.1 mmmt 63.61 31.45 14.58 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.299 -0.864 . . . . 65.55 111.063 -177.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -92.43 -80.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.427 -0.351 . . . . 71.23 110.996 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 69.6 m -157.52 145.25 18.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 65.45 111.018 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -91.52 -4.01 55.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.629 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.607 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 84.64 20.09 58.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.362 -0.923 . . . . 72.21 112.222 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.914 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 10.4 p90 -162.95 166.68 23.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 75.12 110.174 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.58 -178.97 39.54 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.823 -0.911 . . . . 73.12 110.823 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 97.1 m-85 -126.63 148.54 49.79 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.3 0.571 . . . . 65.45 110.708 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.607 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 13.0 p -144.26 100.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 122.114 0.959 . . . . 75.14 110.112 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.619 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 9.4 m -94.56 125.26 39.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 73.34 110.167 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HB2' HG23 ' A' ' 68' ' ' VAL . 51.1 m-85 -86.42 177.57 7.39 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.874 0.369 . . . . 75.32 110.823 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.58 -35.86 60.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.491 0.663 . . . . 72.31 109.688 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 7.8 t -143.61 155.79 44.38 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.149 -0.932 . . . . 71.12 109.815 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.13 -29.52 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.809 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.59 -35.57 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 74.03 111.511 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.486 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.3 mt-10 -76.66 -37.5 56.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.086 0.469 . . . . 64.41 110.095 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 72' ' ' MET . 37.7 t -58.93 -52.2 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.711 -0.677 . . . . 74.43 110.593 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.53 74.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.584 . . . . 72.34 110.63 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.41 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 75.42 110.541 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.13 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.44 110.28 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.0 mtt -66.82 -43.92 82.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 70.31 110.618 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -65.25 -24.19 67.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 62.21 110.793 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 7.11 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.79 -0.641 . . . . 72.33 112.059 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ptt-85 -66.98 149.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 74.45 110.309 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 60.1 Cg_endo -72.57 129.74 17.95 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.528 -1.447 . . . . 75.32 113.017 2.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 20.1 t-80 -74.97 161.09 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.703 -0.68 . . . . 73.54 110.294 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -146.62 112.18 5.59 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.61 -0.515 . . . . 74.25 109.61 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -129.03 131.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.875 -0.417 . . . . 73.31 109.875 177.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 79' ' ' VAL . 19.0 t70 71.79 -57.17 0.62 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.173 0.921 . . . . 70.23 110.01 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.53 33.64 0.02 OUTLIER Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 108.808 -1.717 . . . . 62.01 108.808 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 12.8 tpp180 -132.25 128.46 37.9 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.434 -0.883 . . . . 75.22 110.285 -170.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.0 t -76.36 109.37 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.316 -0.624 . . . . 74.53 109.316 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 21' ' ' LEU . 28.5 m -104.81 174.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.861 -0.609 . . . . 74.04 111.191 -175.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.36 101.97 30.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.873 -0.603 . . . . 75.02 109.659 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.07 115.11 0.43 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.33 2.687 . . . . 72.35 112.674 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -128.54 160.11 33.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 71.14 110.307 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.44 126.7 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.077 -0.342 . . . . 75.1 110.077 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HB3' ' O6 ' ' B' ' 4' ' ' ' G' . . . -65.33 144.07 57.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.912 0.386 . . . . 75.25 111.21 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.59 164.33 2.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.29 -0.633 . . . . 72.32 109.29 175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 m -62.95 126.82 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.01 -0.737 . . . . 75.13 109.01 176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 6.6 ptp85 -60.9 -28.89 69.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.746 0.308 . . . . 75.44 110.627 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -58.08 -38.03 75.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.874 -0.603 . . . . 73.41 110.398 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.534 ' HA ' ' HD2' ' A' ' 97' ' ' ARG . 7.9 m-20 -73.62 -23.5 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 70.45 111.391 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.7 m -92.71 -20.85 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.507 -0.315 . . . . 73.45 111.446 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.698 ' NE2' " H4'" ' B' ' 7' ' ' ' C' . 28.9 mt-30 -65.31 -49.8 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 64.44 110.676 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.683 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.942 -0.572 . . . . 74.33 110.572 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.917 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O4'-C1'-C2' 108.247 1.32 . 0.0 '__' . 75.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.917 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 100.582 -1.02 . 0.0 OUTLIER gamma 75.51 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.714 H5'' ' CZ ' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.333 1.38 . 0.02 0b . 73.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.962 " H4'" " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.059 1 C1'-O4'-C4' 105.66 -4.378 OUTLIER-DELTA 0.0 OUTLIER delta 75.51 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.962 " H5'" " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 103.804 -1.211 . 0.0 OUTLIER delta-1 75.32 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.668 ' H5 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 C3'-C2'-C1' 100.06 -1.6 . 0.297 5q . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.698 " H4'" ' NE2' ' A' ' 96' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-C2' 107.282 0.63 . 0.0 OUTLIER . 74.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.703 0.287 . . . . 73.12 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -65.01 -28.73 69.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.917 0.389 . . . . 74.54 111.002 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -87.4 27.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 74.54 111.088 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t -75.42 -173.35 2.07 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.345 -0.613 . . . . 74.4 109.345 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.37 103.13 1.91 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.617 0.722 . . . . 74.44 110.679 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.2 m -140.79 132.54 14.01 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.354 -0.839 . . . . 70.42 109.037 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.599 ' HB2' HH21 ' A' ' 14' ' ' ARG . 23.4 Cg_exo -64.28 116.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.206 1.937 . . . . 74.13 110.763 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -156.71 98.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.657 0.265 . . . . 74.1 111.698 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.88 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . 6.9 tp10 -137.87 -64.78 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.335 -0.393 . . . . 70.33 111.026 171.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.88 ' HD3' ' HB3' ' A' ' 9' ' ' GLU . 4.7 Cg_exo -76.67 103.95 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.62 1.547 . . . . 72.22 112.171 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.59 -43.95 95.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.541 -0.754 . . . . 71.12 110.818 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.656 ' OE1' ' HB2' ' A' ' 91' ' ' SER . 6.5 pt20 -65.16 -37.04 86.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.056 -0.52 . . . . 64.13 110.72 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 3.3 tt -80.24 -18.69 48.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.055 0.455 . . . . 74.4 110.87 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.599 HH21 ' HB2' ' A' ' 7' ' ' PRO . 23.8 mtt85 -93.24 -5.67 49.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.152 0.501 . . . . 74.12 109.918 173.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 25.2 ttmm -93.27 136.46 33.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.346 -0.843 . . . . 75.15 109.874 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' A' ' 60' ' ' VAL . 9.2 tp -103.25 126.42 50.41 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.511 -0.768 . . . . 75.31 109.993 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 18.8 t80 -87.0 109.88 19.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.956 -0.757 . . . . 72.41 108.956 176.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 HG21 HD23 ' A' ' 30' ' ' LEU . 10.8 mm -102.35 95.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.326 -0.397 . . . . 75.53 110.105 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.67 147.78 18.02 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.026 -1.083 . . . . 52.14 111.684 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.752 ' HA2' " H5'" ' B' ' 1' ' ' ' U' . . . 98.0 19.66 23.42 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.819 -0.705 . . . . 74.13 112.722 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 3.2 pp -94.1 167.48 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.903 0.352 . . . . 72.42 110.843 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -78.63 174.82 10.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 72.43 111.553 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -82.64 -10.89 58.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.902 -0.59 . . . . 74.51 110.879 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -96.68 -9.91 28.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.143 0.497 . . . . 74.31 109.923 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.568 ' HB ' HD12 ' A' ' 21' ' ' LEU . 77.9 m -68.77 94.54 0.61 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.381 -0.827 . . . . 71.23 110.861 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -93.29 167.42 11.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.6 -0.727 . . . . 74.12 109.833 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -38.9 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.663 0.268 . . . . 62.41 110.998 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.08 -35.87 82.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.162 -0.472 . . . . 62.13 111.048 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -74.6 -42.69 58.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.534 0.683 . . . . 64.14 109.408 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 18' ' ' ILE . 2.7 tm? -64.95 -50.39 66.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.758 -1.11 . . . . 73.51 109.858 -173.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 13.8 ptt180 -66.31 -36.13 82.15 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.966 -0.561 . . . . 75.22 110.165 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.06 -40.33 90.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.639 0.257 . . . . 71.11 110.589 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 79' ' ' VAL . 86.1 m-70 -70.46 -28.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 75.43 110.724 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -91.48 -15.58 28.59 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.227 -0.296 . . . . 73.13 111.663 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 32.0 mt-10 -72.17 1.38 7.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.213 0.53 . . . . 74.32 110.671 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 34' ' ' PHE . 16.1 mt-30 -86.79 -26.5 24.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.697 -0.683 . . . . 73.34 111.957 -175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -112.03 10.96 20.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.188 0.518 . . . . 72.21 110.191 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.13 179.67 39.17 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.546 -0.835 . . . . 38.38 112.986 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -102.12 123.31 45.76 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.243 0.217 . . . . 64.2 111.022 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.29 116.28 24.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.133 -0.627 . . . . 72.14 109.948 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 p -82.64 -20.34 36.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.231 -0.895 . . . . 75.32 109.315 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 32.1 t70 -142.39 134.46 27.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.905 -1.043 . . . . 72.33 109.348 174.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.9 p -148.54 131.53 16.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.625 0.25 . . . . 73.41 110.559 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG12 ' C4 ' ' B' ' 5' ' ' ' G' . 14.1 p -163.76 150.26 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.363 -0.381 . . . . 73.14 111.109 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.35 151.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 74.11 110.017 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.559 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 0.5 OUTLIER -96.63 134.5 39.8 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.733 0.778 . . . . 71.12 111.634 -175.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 5.2 mpt_? -105.56 161.03 14.71 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.682 -1.144 . . . . 74.03 109.193 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 13.8 t70 -61.18 136.73 94.06 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.862 -0.421 . . . . 73.45 109.862 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.542 ' HA ' ' O2 ' ' B' ' 7' ' ' ' C' . 44.6 Cg_endo -68.47 -10.88 30.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.388 2.059 . . . . 74.55 112.682 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -110.03 -58.0 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 71.14 109.854 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.0 p -81.05 -24.52 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.683 -0.689 . . . . 74.33 111.342 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt 66.74 21.37 10.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.764 -0.653 . . . . 72.22 110.977 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -92.59 -75.25 0.49 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.925 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 5.8 p -158.41 158.57 34.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.827 -0.17 . . . . 74.32 110.808 -178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 14.9 mtm180 -125.75 4.04 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.971 0.36 . . . . 74.51 111.971 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.625 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 78.08 24.35 64.18 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.662 -0.78 . . . . 64.11 113.895 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.742 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 26.8 p90 -164.76 164.43 21.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.997 0.398 . . . . 72.31 110.674 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.12 -170.26 27.74 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.95 -0.568 . . . . 52.23 112.011 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -136.44 155.13 50.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 72.12 111.326 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -151.0 114.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 73.24 110.589 176.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 46.3 m -93.44 121.17 34.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.446 -0.576 . . . . 65.04 109.446 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.56 178.16 8.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.674 0.273 . . . . 65.25 110.458 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -32.99 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.457 0.646 . . . . 62.44 109.803 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 t -149.24 156.43 42.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.478 -0.783 . . . . 73.22 110.214 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 m -55.06 -29.91 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 75.1 112.393 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.45 -35.84 68.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.172 0.51 . . . . 72.5 110.956 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.4 mt-10 -76.87 -40.17 48.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.543 -0.753 . . . . 73.33 110.561 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.486 HG13 HD13 ' A' ' 16' ' ' LEU . 50.1 t -56.56 -51.07 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.874 -0.603 . . . . 75.21 110.584 177.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.63 -34.82 76.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 73.33 110.9 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 73.22 110.464 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.88 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.9 -0.591 . . . . 74.44 110.574 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.45 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 30.2 mtt -68.92 -40.31 79.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 71.32 110.6 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -66.86 -20.28 65.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.932 0.396 . . . . 65.23 110.822 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.12 14.11 8.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.438 0.533 . . . . 72.52 112.438 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 5.3 ptp85 -77.14 153.59 82.38 Favored Pre-proline 0 C--N 1.328 -0.358 0 C-N-CA 121.099 -0.24 . . . . 72.42 110.805 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 35.7 Cg_endo -65.71 126.74 6.81 Favored 'Cis proline' 0 C--O 1.236 0.39 0 C-N-CA 123.423 -1.49 . . . . 75.4 112.456 -0.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 28.0 t-80 -74.8 149.77 39.55 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 73.01 109.571 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -133.9 114.86 13.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.44 -0.345 . . . . 74.32 110.344 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -137.23 119.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.821 -0.627 . . . . 71.53 110.119 177.636 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.22 36.02 25.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.64 -0.709 . . . . 54.22 111.363 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 2.99 88.52 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.704 -0.68 . . . . 74.12 112.928 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 22.5 tpp180 -108.8 137.65 46.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.778 0.323 . . . . 72.14 110.938 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 60.9 t -89.64 125.45 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.263 -0.643 . . . . 71.2 109.263 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.28 171.64 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 74.51 111.528 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.71 102.74 46.95 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.365 -0.834 . . . . 74.41 108.981 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HB2' HD22 ' A' ' 16' ' ' LEU . 30.1 Cg_endo -83.06 115.1 2.3 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.483 2.122 . . . . 75.15 111.602 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 16' ' ' LEU . 14.8 mtpp -119.43 150.35 40.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.392 -0.822 . . . . 72.23 110.519 -172.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 122.5 17.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.108 -0.701 . . . . 73.54 109.108 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.692 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -77.89 142.96 38.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.639 0.733 . . . . 73.21 111.841 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.417 HG22 ' C2 ' ' B' ' 3' ' ' ' A' . 34.6 m -89.24 -178.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.397 -0.964 . . . . 71.42 108.397 169.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.656 ' HB2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 t -85.73 149.53 25.23 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.678 -0.809 . . . . 74.4 109.053 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.513 ' HD2' " O2'" ' B' ' 4' ' ' ' G' . 4.3 ptm180 -68.32 -18.86 64.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.864 -0.791 . . . . 74.42 108.864 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.6 -33.35 62.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.943 -1.026 . . . . 74.14 109.596 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 91' ' ' SER . 1.4 m-20 -77.15 -25.95 52.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.409 -0.814 . . . . 74.55 110.882 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -77.27 103.88 7.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.752 -0.658 . . . . 64.24 111.028 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.84 -0.62 42.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.543 -0.753 . . . . 73.35 109.434 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.373 -0.831 . . . . 72.13 109.951 -178.848 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.752 " H5'" ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C4'-C3'-C2' 103.527 0.827 . 0.0 '__' . 75.32 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.732 ' H6 ' " O5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C4'-C3'-C2' 105.127 2.427 . 0.0 OUTLIER zeta-1 75.45 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.861 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.016 1 C3'-C2'-C1' 97.488 -4.458 . 0.29 4b . 74.01 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.861 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 C1'-O4'-C4' 107.478 -2.358 . 0.0 OUTLIER gamma 74.43 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.832 " H4'" ' C5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 C4'-C3'-C2' 106.172 3.472 OUTLIER-DELTA 0.0 OUTLIER gamma 74.52 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.726 " H2'" " C5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 104.716 2.016 . 0.0 OUTLIER zeta-1 74.45 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.832 ' C5 ' " H4'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 103.096 -1.717 . 0.0 OUTLIER gamma 65.32 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.814 0.34 . . . . 73.44 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -85.77 103.58 14.67 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.037 -0.357 . . . . 74.13 110.037 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -97.1 -12.84 22.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.073 0.463 . . . . 72.22 110.694 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -149.92 136.88 19.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.59 . . . . 74.21 110.435 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -68.91 -78.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.014 -0.736 . . . . 72.4 109.014 172.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 m -161.59 132.92 3.89 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.075 -0.966 . . . . 61.24 108.67 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.43 124.89 17.4 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.154 1.903 . . . . 73.33 110.429 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -77.17 58.93 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.545 0.688 . . . . 72.33 111.858 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.537 ' HB3' ' HE ' ' A' ' 14' ' ' ARG . 7.4 mm-40 -78.94 138.53 57.23 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 107.975 -1.12 . . . . 72.23 107.975 170.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.65 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 47.8 Cg_endo -69.01 91.59 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 121.421 1.414 . . . . 75.43 111.047 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 26.9 tt0 -62.27 -19.33 63.14 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.573 -0.74 . . . . 73.21 109.937 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -65.86 -53.73 35.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 75.35 111.037 176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 10' ' ' PRO . 4.7 pp -90.89 -13.41 33.68 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.678 -0.409 . . . . 64.41 111.83 -171.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' HE ' ' HB3' ' A' ' 9' ' ' GLU . 80.0 mtt-85 -92.26 -9.38 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.885 -0.326 . . . . 75.44 110.405 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 22.5 ttmm -88.04 136.4 32.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.609 . . . . 72.23 110.679 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 60' ' ' VAL . 8.1 tp -101.52 123.62 45.86 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.128 -0.942 . . . . 74.3 109.561 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.615 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 14.0 t80 -86.38 112.94 21.93 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.06 -0.719 . . . . 72.41 109.06 176.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.26 101.24 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.007 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.14 142.98 17.39 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.942 -1.123 . . . . 64.43 112.397 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.1 34.46 8.18 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.032 -0.604 . . . . 74.12 112.574 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 25' ' ' THR . 2.0 pp -98.53 174.5 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 63.35 111.185 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -75.73 167.9 21.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 75.21 111.492 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.004 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 87.6 m-85 -85.7 -1.33 57.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.6 0.714 . . . . 74.54 109.642 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.41 -9.5 32.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.82 -1.082 . . . . 70.42 109.441 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 21' ' ' LEU . 55.5 m -76.82 104.14 7.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.195 -0.911 . . . . 74.41 111.386 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -107.33 169.61 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.618 -0.719 . . . . 74.22 110.235 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.428 ' HA ' HG12 ' A' ' 45' ' ' VAL . 5.6 t70 -52.02 -48.48 64.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.055 0.542 . . . . 72.33 111.809 -174.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.16 -37.71 88.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.079 -0.509 . . . . 75.11 111.48 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 48.7 m -78.27 -32.31 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.045 -0.354 . . . . 74.14 110.045 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD21 HG13 ' A' ' 45' ' ' VAL . 20.8 tp -66.1 -48.31 71.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.611 -0.514 . . . . 75.2 109.611 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.7 ptm180 -65.25 -39.56 92.83 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.786 -0.643 . . . . 73.31 110.293 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -62.17 -38.83 90.57 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.884 -0.326 . . . . 70.42 110.928 -176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.456 ' CD2' HG22 ' A' ' 79' ' ' VAL . 80.8 m-70 -74.6 -39.13 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 74.22 111.137 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.3 m-85 -85.54 -19.86 30.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.611 0.597 . . . . 71.23 112.611 -175.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.524 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mt-10 -78.47 10.26 3.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.277 0.56 . . . . 74.41 110.61 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.13 -25.89 31.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.587 -0.733 . . . . 74.15 111.245 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -113.13 12.21 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 75.1 110.505 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.94 -170.14 40.55 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.218 -0.991 . . . . 74.11 113.152 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 52.4 m -108.39 123.1 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.428 0.291 . . . . 64.41 110.776 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.2 mt -92.59 108.06 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.539 . . . . 74.03 110.367 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.8 p -80.32 -16.22 55.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 71.2 110.369 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.586 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.2 t70 -151.47 105.3 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.355 -0.839 . . . . 74.13 110.571 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.51 143.81 47.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.613 -0.435 . . . . 55.43 110.108 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 14.8 p -163.56 146.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.36 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 30' ' ' LEU . 34.0 m -124.37 156.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.023 0.44 . . . . 75.42 110.576 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.863 ' HE1' ' C8 ' ' B' ' 5' ' ' ' G' . 17.1 mmt -104.63 132.01 51.37 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.974 -0.751 . . . . 74.25 108.974 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.528 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 38.9 mtp180 -121.48 144.58 48.62 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.261 -0.427 . . . . 73.52 110.156 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 11.2 t70 -50.32 137.05 22.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 124.115 0.884 . . . . 72.23 110.821 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.54 -18.51 59.52 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.306 2.004 . . . . 63.41 112.257 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -102.96 -55.43 2.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 72.14 110.109 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.501 ' HB ' ' HD3' ' A' ' 53' ' ' ARG . 16.6 p -82.39 -30.58 30.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.576 -0.738 . . . . 72.14 111.045 -174.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 66.57 26.52 9.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.493 -0.776 . . . . 64.32 111.413 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 4.7 mpt_? -92.36 -76.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.683 0.278 . . . . 72.03 110.276 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 1.004 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 42.7 t -155.36 155.05 32.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 73.3 110.236 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 71.2 mtp180 -101.55 1.79 38.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.366 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.66 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 89.64 10.51 65.16 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.734 -0.746 . . . . 45.14 112.756 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 18.4 p90 -158.95 160.05 35.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.365 0.602 . . . . 75.42 111.74 176.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.43 -178.45 31.5 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.196 -0.911 . . . . 75.04 111.267 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.498 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.8 m-85 -135.89 148.51 48.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.221 0.534 . . . . 75.15 111.248 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -148.31 109.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.203 -0.908 . . . . 73.24 110.685 -177.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.586 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -95.87 115.28 27.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.713 -0.676 . . . . 74.15 109.616 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' THR . 57.5 m-85 -77.86 176.19 9.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.818 0.342 . . . . 74.45 111.03 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.24 -37.03 58.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.435 0.636 . . . . 75.23 109.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.448 HG22 ' HG3' ' A' ' 67' ' ' GLU . 3.6 t -143.54 160.21 41.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.196 -0.911 . . . . 74.31 109.619 175.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.73 -17.83 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 75.4 111.22 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 75.33 110.153 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.6 mt-10 -77.1 -38.12 52.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.667 -0.697 . . . . 70.13 109.693 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 16' ' ' LEU . 20.0 t -54.83 -49.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.379 -0.828 . . . . 60.44 110.4 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.32 -40.83 87.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 73.32 110.933 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.22 96.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 73.32 110.7 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.85 82.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 63.21 110.58 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.468 ' HE2' ' HD3' ' A' ' 88' ' ' ARG . 36.7 mtt -66.18 -37.86 86.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.767 -0.651 . . . . 72.52 110.746 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.21 -4.1 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.979 -0.555 . . . . 72.15 110.531 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 12.04 33.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 70.21 110.647 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.505 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 15.0 ptt180 -76.02 152.09 84.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 72.33 110.359 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 17.4 Cg_exo -66.16 127.0 7.36 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.584 -1.423 . . . . 73.14 111.843 -1.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 26.4 t-80 -73.83 153.35 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.014 -0.539 . . . . 75.11 109.931 -177.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -136.91 112.86 9.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.272 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -136.66 124.05 32.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 73.34 109.887 176.427 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 62.89 30.74 16.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.502 -0.772 . . . . 72.04 110.988 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.59 23.8 77.38 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.639 -0.709 . . . . 54.22 112.417 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -126.26 132.58 51.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.314 -0.254 . . . . 74.11 110.314 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 62.4 t -81.78 126.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.879 -0.415 . . . . 75.51 109.879 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 21' ' ' LEU . 32.6 m -120.89 173.82 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.166 -0.47 . . . . 53.51 111.391 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' HB2' ' H3 ' ' B' ' 2' ' ' ' U' . 59.8 mt-10 -115.1 113.49 43.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 75.14 109.468 171.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.485 ' HB2' HD22 ' A' ' 16' ' ' LEU . 25.3 Cg_endo -91.72 103.59 0.23 Allowed 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 122.661 2.241 . . . . 75.42 111.028 173.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -117.12 154.83 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 73.32 110.546 -171.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' HD3' ' HE2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -62.75 130.44 44.94 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.279 -0.637 . . . . 61.5 109.279 175.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -74.19 138.46 43.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.554 0.692 . . . . 74.33 112.35 -174.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.471 HG12 ' C6 ' ' B' ' 3' ' ' ' A' . 9.9 p -91.66 175.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 74.51 108.612 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 t -60.2 140.04 57.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.271 0.487 . . . . 61.41 110.537 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.829 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 13.3 ptt180 -62.9 -30.98 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.003 -0.544 . . . . 73.22 110.232 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -77.46 -42.5 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.43 111.169 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.63 -15.25 37.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 71.24 112.506 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.532 ' HB3' ' N2 ' ' B' ' 4' ' ' ' G' . 21.8 t -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.813 -0.355 . . . . 74.54 111.074 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -123.46 -45.78 2.06 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.348 -0.22 . . . . 74.31 111.473 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 120.874 -0.33 . . . . 72.51 110.361 -178.74 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.847 " H3'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C4'-C3'-C2' 104.786 2.086 . 0.0 '__' . 74.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.847 H5'' " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.708 0.934 . 0.0 OUTLIER . 75.1 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.766 " H2'" ' OP2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 108.331 1.38 . 0.0 OUTLIER gamma 71.24 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.829 ' C2 ' ' HA ' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.028 1 C1'-O4'-C4' 105.465 -4.594 OUTLIER-EPSILON 0.0 OUTLIER alpha 75.31 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 1.087 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 C4'-C3'-C2' 106.051 3.351 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 74.32 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.087 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 C4'-C3'-C2' 104.547 1.847 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.716 ' C6 ' " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-C2' 107.882 1.058 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.444 -0.206 . . . . 53.11 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 60.55 67.05 0.86 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.629 0.728 . . . . 73.53 109.45 -176.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -161.0 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.323 -0.853 . . . . 75.53 109.939 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.0 m -118.85 114.89 23.34 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.585 -0.734 . . . . 62.4 109.971 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -76.18 134.03 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.904 0.383 . . . . 73.11 110.145 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -96.46 118.74 65.09 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.878 -0.601 . . . . 75.25 110.864 -175.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.19 124.34 13.72 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.317 2.011 . . . . 63.14 110.468 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.21 88.99 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.545 0.688 . . . . 75.33 110.298 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' HB2' ' NE ' ' A' ' 14' ' ' ARG . 9.0 pt-20 -92.63 145.37 30.28 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 114.749 -1.114 . . . . 73.44 109.808 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.82 109.3 2.87 Favored 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 121.888 1.726 . . . . 43.04 110.895 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 pt-20 -70.55 -12.26 61.46 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.356 -0.609 . . . . 61.23 109.356 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.53 -59.43 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.714 -0.676 . . . . 74.02 110.962 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -3.93 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 73.23 110.761 -174.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' NE ' ' HB2' ' A' ' 9' ' ' GLU . 53.6 mtt180 -102.69 -6.93 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.65 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 20.5 ttmm -98.02 138.69 34.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 74.23 109.535 177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.586 ' HB2' HG13 ' A' ' 60' ' ' VAL . 5.2 mt -101.22 129.32 47.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.161 -0.927 . . . . 72.51 110.309 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.569 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 34.0 t80 -85.44 114.38 22.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 75.14 109.102 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 86' ' ' PRO . 24.3 mm -109.28 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.309 -0.405 . . . . 73.43 110.324 -175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -116.5 144.55 18.47 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 119.894 -1.146 . . . . 64.04 112.079 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.0 17.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.862 -0.685 . . . . 41.2 113.039 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.588 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -90.7 169.14 11.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.168 0.484 . . . . 74.24 110.77 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -74.52 172.06 12.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.225 0.536 . . . . 62.42 111.099 -173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 83.6 m-85 -85.79 -2.15 57.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 73.44 109.759 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -99.77 -13.75 19.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 74.13 109.89 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.8 m -65.48 123.43 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 61.42 110.27 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' HG2' ' A' ' 28' ' ' GLU . 5.1 t -132.64 173.82 10.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.695 -0.483 . . . . 60.24 109.695 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -47.2 -47.63 24.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.837 0.455 . . . . 75.23 112.093 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.411 ' HG2' HG22 ' A' ' 26' ' ' THR . 8.7 pt-20 -60.81 -45.17 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 55.14 111.767 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -79.71 -25.34 41.19 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.578 -0.449 . . . . 64.32 110.593 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.18 -56.19 14.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.364 -0.606 . . . . 74.15 109.364 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.4 ptm180 -71.17 -34.05 70.56 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.213 -0.595 . . . . 74.33 110.645 -176.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -65.76 -30.12 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.978 -0.289 . . . . 75.52 111.475 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 55.9 m-70 -93.44 -9.17 39.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.822 -0.351 . . . . 63.01 111.215 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' A' ' 36' ' ' GLN . 29.6 m-85 -107.34 -23.17 12.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.054 0.391 . . . . 75.45 112.054 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' HG2' HD12 ' A' ' 40' ' ' LEU . 29.9 mt-10 -75.21 15.56 0.42 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.001 0.429 . . . . 75.52 111.335 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.8 mt-30 -91.81 -21.96 20.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.121 -0.491 . . . . 72.33 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -115.77 13.55 16.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 74.1 110.167 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.35 -172.15 41.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.305 -0.95 . . . . 60.22 112.988 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 87.5 m -104.12 122.91 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.372 0.269 . . . . 73.3 110.408 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.767 ' HG ' HG21 ' A' ' 60' ' ' VAL . 3.9 mp -93.78 111.3 22.97 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.071 -0.652 . . . . 74.42 109.548 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -77.75 -25.45 49.2 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.826 -0.805 . . . . 75.2 108.826 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.63 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 27.7 t70 -141.0 141.68 34.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.531 -1.213 . . . . 74.34 109.901 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.3 p -153.02 142.24 21.49 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.156 -0.683 . . . . 73.12 109.156 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -163.58 140.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.037 0.446 . . . . 74.24 111.476 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -108.96 137.73 39.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.751 -0.833 . . . . 75.41 108.751 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.603 ' HE3' ' C8 ' ' B' ' 5' ' ' ' G' . 23.8 mmt -81.05 134.19 35.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.937 0.398 . . . . 74.44 111.099 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.88 151.04 32.76 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.646 -0.706 . . . . 74.21 109.295 175.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.507 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 13.6 t70 -62.57 143.38 96.36 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.083 -0.508 . . . . 75.33 109.798 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.37 -19.15 38.37 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.176 1.918 . . . . 63.43 112.276 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.69 -59.76 1.64 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.201 0.524 . . . . 74.3 110.034 -176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.3 p -74.66 -30.97 61.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.676 -0.693 . . . . 74.33 110.378 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.9 mmmt 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.23 -0.896 . . . . 74.12 110.659 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -109.7 162.81 14.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.642 -0.708 . . . . 73.45 109.833 175.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 3.7 m -52.05 125.41 15.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.727 0.642 . . . . 73.03 111.733 -175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -87.44 16.91 4.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 73.21 111.919 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.554 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 75.64 19.65 78.97 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.789 -0.72 . . . . 51.24 113.257 175.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CD2' H5'' ' B' ' 2' ' ' ' U' . 10.4 p90 -163.53 164.74 24.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.932 0.366 . . . . 73.52 110.679 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.0 -166.14 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 116.056 -0.52 . . . . 61.11 111.805 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 69.0 m-85 -139.65 157.36 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.204 0.526 . . . . 74.21 111.095 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG21 ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -147.04 123.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.45 -0.795 . . . . 73.33 110.65 -178.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.63 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.0 m -111.39 119.19 38.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.97 -0.382 . . . . 71.22 109.97 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 39' ' ' THR . 58.2 m-85 -86.3 172.81 10.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.859 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.15 67.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 73.21 109.906 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -147.91 161.0 42.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.449 -0.796 . . . . 75.31 110.113 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -63.27 -25.82 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 73.22 112.603 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.75 -19.15 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.852 -0.339 . . . . 73.31 111.465 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -79.47 -34.6 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 64.11 109.171 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG11 ' HG ' ' A' ' 16' ' ' LEU . 25.0 t -58.45 -45.4 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.331 -0.849 . . . . 63.14 109.457 171.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.6 -42.03 82.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.738 -0.664 . . . . 72.34 110.842 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.71 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 43.02 110.776 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.3 -32.02 68.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.001 0.429 . . . . 64.53 110.345 176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.678 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.8 mtt -72.28 -23.3 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.529 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -80.29 -19.03 47.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.402 0.62 . . . . 73.41 109.7 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.84 -8.94 55.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.305 -0.861 . . . . 75.12 111.692 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.691 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 35.2 ptt180 -78.39 149.34 75.37 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 110.123 -0.325 . . . . 74.11 110.123 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.691 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 32.3 Cg_exo -59.68 124.6 2.03 Favored 'Cis proline' 0 C--N 1.347 0.46 0 C-N-CA 123.609 -1.413 . . . . 75.05 112.761 2.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.565 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 18.9 t-80 -78.67 167.03 21.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.43 -0.804 . . . . 73.31 110.435 -172.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.8 tppt? -147.07 108.6 4.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 70.54 110.551 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -133.82 130.04 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.601 . . . . 75.35 109.771 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 63.66 18.74 11.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.759 0.79 . . . . 75.44 110.388 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 80.09 13.43 82.04 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.933 -0.651 . . . . 72.44 111.879 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -112.68 134.69 54.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.692 0.282 . . . . 73.4 110.299 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.1 t -81.58 120.65 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 55.14 109.951 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 21' ' ' LEU . 35.2 m -118.27 166.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 72.5 111.304 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -110.33 107.76 58.51 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.896 -0.593 . . . . 72.31 110.135 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HA ' HD13 ' A' ' 18' ' ' ILE . 19.5 Cg_endo -92.88 103.72 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.289 2.659 . . . . 63.13 111.725 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -124.2 150.62 45.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 63.4 110.473 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HD3' ' HE3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -55.55 130.51 43.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.268 0.227 . . . . 55.03 110.891 -176.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -72.87 158.0 36.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.5 0.667 . . . . 73.12 111.862 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG12 ' C2 ' ' B' ' 3' ' ' ' A' . 15.0 p -113.47 161.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.022 -0.99 . . . . 75.24 109.047 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -58.33 132.46 53.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.664 0.269 . . . . 74.34 110.622 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -65.29 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.325 -0.621 . . . . 73.23 109.325 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -64.98 -44.22 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.465 -0.789 . . . . 54.05 110.159 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -40.88 96.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.618 -0.719 . . . . 75.51 111.7 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.2 m -74.55 -29.81 61.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 45.41 111.394 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -83.1 73.32 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.084 0.469 . . . . 71.43 110.405 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.674 -0.679 . . . . 75.12 109.739 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.601 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 C3'-C2'-C1' 104.047 2.83 OUTLIER-DELTA 0.0 '__' . 74.52 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.601 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 103.607 0.907 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.883 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 98.374 -3.473 . 0.0 OUTLIER gamma 75.02 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.883 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C1'-O4'-C4' 106.929 -2.968 . 0.0 OUTLIER gamma 63.31 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.747 ' C8 ' ' H8 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C3'-C2'-C1' 100.002 -1.665 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 1.047 " H3'" " C5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.8 1.0 . 0.0 OUTLIER gamma 74.33 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 1.047 " C5'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 104.174 -0.947 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.177 -0.305 . . . . 63.51 110.177 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m -67.05 -49.46 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 72.15 110.426 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 3' ' ' LYS . 64.5 mmtt -104.7 78.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.68 0.752 . . . . 72.22 111.713 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -102.69 140.99 36.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.476 -1.305 . . . . 64.54 107.476 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -54.35 106.99 0.23 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.816 0.817 . . . . 70.54 110.373 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -139.58 88.89 12.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.476 -0.784 . . . . 74.43 111.133 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -97.84 34.06 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 123.521 2.814 . . . . 74.23 110.072 167.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.82 91.55 2.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.451 -0.795 . . . . 75.21 110.172 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.755 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.6 mp0 -133.25 158.15 76.43 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.174 -0.921 . . . . 74.15 108.608 173.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -49.33 139.04 29.23 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.477 2.118 . . . . 65.14 112.39 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -52.67 -39.42 61.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.551 . . . . 75.43 109.907 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.52 -61.96 1.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.737 -1.12 . . . . 73.12 112.361 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -87.48 -1.29 57.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.426 -0.51 . . . . 75.41 111.559 -170.274 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 63.1 mtm180 -99.09 -14.52 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 75.41 110.399 173.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -89.28 140.52 29.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.424 0.631 . . . . 75.13 109.715 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.516 ' HB3' HG13 ' A' ' 60' ' ' VAL . 8.9 tp -109.94 130.32 55.54 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.354 -0.839 . . . . 72.21 109.474 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.659 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 27.3 t80 -84.89 113.82 21.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.188 -0.671 . . . . 72.34 109.188 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.51 98.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.48 -0.327 . . . . 72.45 110.428 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.01 146.57 18.85 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.299 -0.953 . . . . 44.31 111.785 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.488 ' HA2' " C5'" ' B' ' 1' ' ' ' U' . . . 95.0 38.96 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.579 -0.82 . . . . 74.43 112.191 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD11 ' HB ' ' A' ' 25' ' ' THR . 3.1 pp -111.33 169.53 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 74.4 110.413 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 p -82.07 169.77 16.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.266 -0.425 . . . . 72.11 110.981 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.866 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 84.1 m-85 -81.48 0.1 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.847 0.832 . . . . 74.41 109.016 175.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.75 -10.21 25.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.17 -1.377 . . . . 73.1 109.061 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.581 ' HB ' HD11 ' A' ' 21' ' ' LEU . 58.8 m -76.21 97.18 4.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.992 -1.003 . . . . 75.44 110.019 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -94.31 166.3 12.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.165 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.627 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 16.1 t70 -49.68 -50.29 44.22 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.068 0.547 . . . . 73.33 111.897 -174.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.92 -37.82 88.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.051 -0.522 . . . . 75.31 111.446 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 m -70.92 -34.67 71.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.908 -0.404 . . . . 51.12 109.908 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.01 -53.83 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 75.14 110.059 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 11.4 ptt85 -63.85 -37.92 89.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.008 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -64.88 -26.67 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.3 111.569 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.532 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.4 m-70 -90.8 -10.08 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.328 . . . . 75.31 111.536 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CE2' HG23 ' A' ' 79' ' ' VAL . 42.6 m-85 -112.81 -19.78 11.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.691 0.626 . . . . 74.41 112.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HG2' HD11 ' A' ' 40' ' ' LEU . 52.2 mt-10 -73.59 2.59 7.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.103 0.478 . . . . 75.35 110.743 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.9 mt-30 -74.51 -39.3 62.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.769 -0.65 . . . . 75.34 111.348 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.8 m-90 -103.2 4.44 36.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.065 -176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.72 175.36 41.36 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.911 -1.138 . . . . 65.23 113.403 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 94.8 m -89.57 125.71 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.418 0.287 . . . . 73.23 111.055 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.682 ' HG ' HG22 ' A' ' 60' ' ' VAL . 3.0 mp -93.9 109.96 21.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.003 0.43 . . . . 73.25 110.327 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -78.35 -21.73 49.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.643 0.735 . . . . 65.23 109.209 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.605 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 36.1 t70 -144.71 140.65 28.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.917 -1.038 . . . . 74.13 109.525 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.75 132.56 13.22 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.978 -0.749 . . . . 70.53 108.978 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.627 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 p -161.16 129.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 74.34 112.175 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 27' ' ' ASP . 88.7 t -96.64 141.36 15.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.912 -0.773 . . . . 73.23 108.912 171.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.596 ' HE2' ' C8 ' ' B' ' 5' ' ' ' G' . 23.7 mmt -82.45 133.86 35.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 74.35 108.817 175.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 45' ' ' VAL . 4.1 mpt_? -116.81 148.28 41.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.537 -0.465 . . . . 74.43 111.125 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 9.2 t70 -57.95 136.8 83.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.052 -0.976 . . . . 72.31 109.704 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -62.55 -20.79 71.73 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.336 2.024 . . . . 65.02 112.144 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.99 -58.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 63.42 110.252 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -76.28 -29.71 57.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 72.34 111.176 -174.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.3 mmmm 61.92 23.98 14.2 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.839 -0.619 . . . . 72.54 111.247 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -94.52 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.05 0.452 . . . . 74.42 110.592 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 34.9 t -163.87 170.39 16.87 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.995 -0.743 . . . . 72.33 108.995 177.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.56 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 47.0 mtp180 -120.53 6.82 10.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.03 0.443 . . . . 75.24 110.608 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.614 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 88.38 5.46 75.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.612 -0.804 . . . . 64.25 112.447 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HB3' " H5'" ' B' ' 2' ' ' ' U' . 6.3 p90 -162.95 164.01 25.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.049 0.452 . . . . 74.31 110.977 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.75 -173.94 28.88 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.764 -0.653 . . . . 72.33 111.579 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 80.9 m-85 -135.07 155.88 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.286 0.565 . . . . 75.53 111.282 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.682 HG22 ' HG ' ' A' ' 40' ' ' LEU . 2.5 p -147.75 129.71 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.23 -0.896 . . . . 70.05 110.037 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 28.2 m -118.36 121.62 40.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.558 -0.534 . . . . 72.31 109.558 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.556 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 69.6 m-85 -86.14 178.43 7.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.06 -0.518 . . . . 73.01 111.212 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.81 60.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 65.24 110.61 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 t -162.54 163.69 27.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.611 -0.722 . . . . 75.35 109.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.4 m -57.91 -27.05 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.348 0.499 . . . . 74.44 112.348 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.1 -42.31 99.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 74.23 111.017 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.4 mm-40 -63.09 -39.68 95.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.513 -0.767 . . . . 74.22 109.886 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG13 HD12 ' A' ' 16' ' ' LEU . 25.1 t -61.91 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.261 -0.881 . . . . 74.35 111.067 178.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.51 -49.2 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 64.44 110.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.19 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 75.24 111.573 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.45 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 55.52 110.897 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.482 ' HE2' ' HD3' ' A' ' 88' ' ' ARG . 44.3 mtt -70.53 -37.94 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.114 0.483 . . . . 65.12 110.326 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.3 -6.2 38.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.665 -0.698 . . . . 60.32 110.475 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.66 8.22 40.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.64 -0.709 . . . . 75.43 110.929 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 -66.61 140.47 96.47 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 64.24 110.022 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.7 127.33 14.1 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.972 -1.262 . . . . 74.01 112.259 0.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.706 -0.679 . . . . 75.15 110.249 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.688 ' HB2' ' HZ1' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -139.65 110.22 6.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.597 -0.274 . . . . 72.33 110.545 -176.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 34' ' ' PHE . 98.4 t -121.84 121.38 64.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.567 -0.531 . . . . 71.14 109.567 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 64.26 23.6 13.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.794 0.807 . . . . 63.12 110.35 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.53 19.76 79.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.408 -0.901 . . . . 74.21 111.578 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -116.56 133.25 56.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 74.22 109.296 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.8 t -76.17 106.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 74.41 110.231 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.32 161.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.052 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.63 113.05 38.54 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-O 120.864 0.364 . . . . 75.31 110.318 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HB2' HD21 ' A' ' 16' ' ' LEU . 20.0 Cg_endo -93.1 110.37 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 123.422 2.748 . . . . 74.22 112.279 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.53 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 17.0 ptpt -122.1 158.22 29.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.396 . . . . 72.34 110.219 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.482 ' HD3' ' HE2' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.21 122.88 16.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.177 -0.305 . . . . 74.1 110.177 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.691 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -73.93 140.49 45.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 70.31 111.579 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.518 HG21 ' C2 ' ' B' ' 3' ' ' ' A' . 28.9 m -85.61 -177.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.483 -0.78 . . . . 73.42 109.602 172.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 m -72.93 151.9 41.66 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.539 -0.541 . . . . 72.35 109.539 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.468 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 21.9 ptt85 -78.54 -12.2 60.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.404 0.621 . . . . 73.33 109.566 176.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -83.39 -11.82 57.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.331 -0.849 . . . . 72.24 109.965 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.27 -27.03 53.02 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.844 -0.616 . . . . 74.21 110.104 -177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -49.6 129.78 19.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.69 -1.141 . . . . 65.33 111.773 -174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.25 -58.51 2.47 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.56 -0.904 . . . . 63.21 108.56 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 115.622 -0.717 . . . . 75.31 110.32 179.775 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.614 " C2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 102.795 1.438 . 0.0 '__' . 74.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.659 " H1'" ' CE1' ' A' ' 17' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 P-O3'-C3' 118.821 -0.733 . 0.12 2[ . 75.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.691 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 C3'-C2'-C1' 98.008 -3.88 . 0.0 OUTLIER alpha 75.4 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.739 " H4'" ' OP1' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C1'-O4'-C4' 106.357 -3.603 . 0.0 OUTLIER gamma 71.14 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.976 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C4'-C3'-C2' 104.228 1.528 . 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' U' . . . . . 0.991 " C4'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 C3'-C2'-C1' 102.946 1.607 . 0.0 OUTLIER alpha 73.34 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.991 " H3'" " C4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.749 0.964 . 0.0 OUTLIER '7D dist 6d' 75.33 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--O 1.226 -0.164 0 CA-C-O 120.964 0.411 . . . . 73.12 109.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -58.62 -36.84 74.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.572 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.75 -27.18 40.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.931 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -90.09 -11.84 40.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.867 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 24.3 ttmm -89.38 137.96 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.38 0.609 . . . . 54.11 110.707 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 68' ' ' VAL . 8.4 tp -111.46 131.7 55.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.318 -0.855 . . . . 71.02 109.335 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -88.55 114.56 25.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.593 -0.521 . . . . 75.01 109.593 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -106.7 97.41 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.175 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.74 144.68 16.8 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.075 -1.059 . . . . 51.31 112.331 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.53 48.33 5.33 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.861 -0.685 . . . . 42.41 112.16 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -108.32 179.34 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 73.12 111.426 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.446 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 29.2 t -72.88 155.0 40.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 72.2 110.924 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -78.21 -4.42 47.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.157 0.503 . . . . 70.1 110.032 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -98.19 -8.23 27.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.581 -0.736 . . . . 64.23 109.503 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.685 ' HB ' HD13 ' A' ' 21' ' ' LEU . 47.4 m -75.65 101.11 4.85 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.547 -0.751 . . . . 64.13 111.139 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.9 t -110.36 -176.63 3.03 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.782 -0.821 . . . . 74.32 108.782 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.21 -53.1 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.61 0.364 . . . . 43.14 111.815 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.3 pt-20 -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 73.44 111.634 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -77.27 -30.26 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 70.05 109.933 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.23 -57.03 4.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.548 -0.751 . . . . 61.41 109.899 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 ptm180 -64.82 -36.0 82.9 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.723 -0.391 . . . . 72.44 110.751 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.2 t -62.29 -31.88 72.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.74 0.305 . . . . 74.31 111.115 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.7 m-70 -92.75 -6.38 49.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.527 -0.306 . . . . 75.12 111.496 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' A' ' 40' ' ' LEU . 27.5 m-85 -110.2 -22.21 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.806 -0.357 . . . . 71.23 111.9 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' HD13 ' A' ' 40' ' ' LEU . 59.3 mt-10 -73.46 17.72 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.075 0.464 . . . . 75.35 111.12 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 34' ' ' PHE . 80.4 mt-30 -97.8 -20.7 17.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 72.11 111.256 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.0 m-90 -115.76 14.62 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.283 0.563 . . . . 65.32 109.874 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.42 -169.95 38.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.459 -0.877 . . . . 72.01 112.895 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 42.1 m -106.79 124.49 49.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.423 0.289 . . . . 62.11 110.278 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 60' ' ' VAL . 1.8 mp -92.43 112.63 24.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.16 -0.616 . . . . 74.42 110.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.2 p -80.46 -28.6 37.61 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.44 -0.8 . . . . 41.44 109.857 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.4 t70 -143.11 99.03 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.632 -0.713 . . . . 73.31 110.278 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.6 p -113.2 133.1 55.23 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 109.027 -0.731 . . . . 74.41 109.027 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.9 121.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.4 0.619 . . . . 62.25 111.492 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.13 142.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.231 -0.655 . . . . 70.53 109.231 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.567 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 24.5 mmt . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 109.979 -0.378 . . . . 73.41 109.979 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 42.3 mtp180 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.837 0.351 . . . . 70.24 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.98 15.21 79.48 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.798 -0.715 . . . . 63.32 113.378 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.94 159.51 18.22 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.771 0.32 . . . . 75.33 110.487 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 -173.4 28.2 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.178 -0.534 . . . . 42.03 112.155 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.29 154.74 48.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 75.11 111.068 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.657 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.4 p -148.79 116.49 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.46 -0.791 . . . . 72.4 110.626 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 38.1 m -107.22 125.25 50.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.949 -0.389 . . . . 72.51 109.949 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 60.0 m-85 -88.47 175.75 7.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.466 -0.334 . . . . 73.01 110.998 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -22.19 58.99 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.519 . . . . 42.23 110.553 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -159.59 162.97 35.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.4 -0.818 . . . . 61.15 110.026 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG23 HH21 ' A' ' 88' ' ' ARG . 3.5 p -60.61 -32.26 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 73.15 112.338 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.83 -15.75 62.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.686 0.279 . . . . 71.44 111.718 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HG3' HG23 ' A' ' 64' ' ' THR . 29.0 mt-10 -82.91 -37.29 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.531 -0.544 . . . . 63.01 109.531 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 16' ' ' LEU . 7.7 t -58.0 -43.82 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.636 -0.711 . . . . 63.51 109.495 171.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.44 -41.88 81.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.038 -0.983 . . . . 73.14 110.131 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.79 88.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.24 110.914 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.07 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.934 0.397 . . . . 73.22 110.378 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.8 mtt -68.16 -37.59 81.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 70.43 110.72 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.29 -17.02 63.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.018 0.437 . . . . 74.33 110.619 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.16 7.54 31.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.983 -0.553 . . . . 74.23 111.514 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 87.7 mtm180 -70.97 145.29 91.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.52 -0.309 . . . . 75.12 110.443 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.418 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.2 Cg_exo -70.99 126.08 10.05 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.693 -1.378 . . . . 73.24 111.901 -0.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.424 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 26.4 t-80 -69.98 158.99 34.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 60.22 110.615 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -141.82 112.55 7.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.776 -0.647 . . . . 62.22 110.036 -176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.47 127.79 54.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.204 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.9 t70 70.77 -5.22 1.5 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.688 -0.687 . . . . 75.51 111.092 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.44 8.64 30.5 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.311 -0.716 . . . . 62.04 111.311 -174.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 7.9 tpp180 -112.3 132.61 54.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.469 -0.366 . . . . 75.12 110.458 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.01 119.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.095 -0.705 . . . . 71.13 109.095 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -116.1 176.0 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.179 -175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -123.69 105.86 32.51 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 74.13 109.623 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HB2' HD21 ' A' ' 16' ' ' LEU . 28.0 Cg_endo -91.12 106.46 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.179 2.586 . . . . 70.14 112.531 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -111.68 160.22 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 73.24 110.49 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.566 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -63.57 131.01 46.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.15 -0.315 . . . . 75.02 110.15 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' GLN . . . -65.95 122.67 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 64.02 111.109 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.168 -0.678 . . . . 62.04 109.168 176.39 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG3' HG21 ' A' ' 61' ' ' THR . 37.0 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.477 -0.194 . . . . 75.43 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -56.43 -50.18 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.246 0.546 . . . . 75.13 110.975 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.67 -24.69 62.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.54 -0.755 . . . . 61.11 111.414 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.57 -7.81 27.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.616 0.246 . . . . 74.34 111.56 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.1 ttmm -89.59 136.33 33.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.382 0.61 . . . . 35.41 110.582 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.52 129.8 53.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.266 -0.879 . . . . 63.42 109.725 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -86.86 113.27 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.819 -0.628 . . . . 72.14 109.452 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.6 mm -109.1 97.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.109 -0.496 . . . . 60.01 110.584 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.93 148.81 18.74 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.051 -1.071 . . . . 55.22 112.42 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.89 11.55 49.6 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.027 -0.606 . . . . 50.3 112.698 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -81.41 163.68 22.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.563 0.221 . . . . 71.55 110.57 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -82.61 173.55 11.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.252 0.549 . . . . 63.13 111.435 -170.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.93 2.36 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.582 0.706 . . . . 63.32 109.644 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.31 -14.86 24.98 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.003 -0.999 . . . . 71.54 108.9 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' HD13 ' A' ' 21' ' ' LEU . 27.4 m -72.56 130.03 39.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.162 -0.926 . . . . 74.12 110.425 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -133.14 163.04 30.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 73.12 109.908 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.74 -46.75 41.49 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 41.35 111.667 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.08 -44.26 92.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.446 . . . . 75.03 112.158 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 p -78.17 -28.88 48.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 75.11 110.287 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 45' ' ' VAL . 3.0 tm? -65.4 -45.62 83.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.275 -0.875 . . . . 75.24 108.984 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 6.5 ptp85 -71.96 -38.84 69.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 120.403 -0.519 . . . . 74.13 110.156 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.6 m -59.79 -38.29 81.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.7 0.286 . . . . 60.24 111.254 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -74.7 -35.95 62.72 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.832 -0.347 . . . . 72.25 111.523 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.7 m-85 -85.59 -17.66 35.57 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.145 -0.622 . . . . 73.21 112.35 -178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 23.6 mt-10 -79.01 14.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.472 . . . . 75.42 110.942 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.5 mt-30 -86.88 -32.05 20.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.062 -0.517 . . . . 71.11 110.722 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 25.5 m-90 -108.69 15.27 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.37 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 161.68 -169.23 37.08 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.233 -0.984 . . . . 65.12 113.385 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -112.82 124.87 53.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 62.11 111.185 -178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.6 mt -91.36 111.14 22.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.131 0.491 . . . . 74.34 110.466 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.7 p -81.98 -24.65 35.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 74.12 110.042 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -143.32 96.41 2.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.053 -0.976 . . . . 73.23 109.754 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.11 139.5 53.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.379 -0.373 . . . . 74.41 110.391 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.8 147.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.878 0.371 . . . . 73.14 111.359 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 ' HG ' ' A' ' 30' ' ' LEU . 60.3 t -119.77 139.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.065 -0.516 . . . . 71.33 110.04 174.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.284 179.534 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 121.003 0.43 . . . . 74.3 110.395 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.85 60.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.647 -0.787 . . . . 60.32 112.187 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -165.52 161.69 18.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.078 0.466 . . . . 62.3 111.017 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 178.61 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.816 -0.914 . . . . 64.42 110.816 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.7 m-85 -133.97 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 73.1 111.27 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -147.34 111.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.33 -0.85 . . . . 74.3 111.194 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 4.3 m -97.75 114.65 26.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.631 -0.713 . . . . 63.4 109.604 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -78.03 172.82 12.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.765 0.317 . . . . 64.32 111.151 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.99 57.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 72.42 109.965 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.3 t -154.69 156.38 36.32 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.496 -0.775 . . . . 64.2 110.678 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.25 -29.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 42.42 111.207 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.84 -35.56 64.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.226 0.536 . . . . 74.4 111.046 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.4 mt-10 -81.76 -33.89 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 74.15 110.439 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.562 HG13 HD13 ' A' ' 16' ' ' LEU . 40.5 t -59.95 -45.94 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.808 -0.633 . . . . 54.33 110.44 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -57.16 -46.0 83.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 73.31 110.506 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.57 90.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 61.14 111.199 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.34 90.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 52.34 111.253 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 45.6 mtt -66.77 -42.22 86.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.953 0.406 . . . . 73.51 110.616 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.69 -15.24 63.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 61.22 110.952 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 5.36 36.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 44.13 111.493 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 14.6 ptm180 -78.4 155.67 78.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.063 -0.347 . . . . 71.22 110.063 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 22.9 Cg_exo -63.93 123.79 3.55 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.7 -1.375 . . . . 70.55 112.37 1.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.511 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -78.11 154.56 31.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 64.31 110.625 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -133.26 114.22 13.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.057 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG21 ' CE2' ' A' ' 34' ' ' PHE . 79.7 t -121.79 127.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.285 . . . . 61.34 110.638 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 67.18 -58.87 0.4 Allowed 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.32 1.012 . . . . 63.01 110.7 -175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.84 34.98 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.268 -1.533 . . . . 44.45 109.268 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -143.55 133.39 23.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.483 -0.859 . . . . 75.42 109.53 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.4 t -73.43 114.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.873 -0.417 . . . . 72.15 109.873 176.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -104.16 163.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.392 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -118.58 102.41 49.93 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 109.793 -0.447 . . . . 64.12 109.793 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -90.61 111.41 0.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 123.124 2.55 . . . . 74.51 112.667 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.56 165.04 19.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.709 . . . . 74.42 109.686 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.16 130.29 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.659 0.266 . . . . 73.41 110.47 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -80.39 131.81 35.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.127 0.489 . . . . 64.02 111.573 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.66 . . . . 73.45 109.43 174.237 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.3 tt0 . . . . . 0 C--O 1.22 -0.462 0 N-CA-C 110.256 -0.276 . . . . 64.03 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.5 -54.61 38.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.381 0.61 . . . . 75.55 111.248 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD21 ' HB ' ' A' ' 65' ' ' VAL . 6.6 tt -70.82 -23.57 62.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.42 -0.809 . . . . 72.33 111.777 -173.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -99.17 -7.43 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.391 -0.368 . . . . 74.33 111.314 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 22.0 ttmm -89.17 136.73 32.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.249 0.547 . . . . 61.35 110.498 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.613 HD13 HG13 ' A' ' 68' ' ' VAL . 8.2 tp -105.45 127.61 53.09 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.327 -0.852 . . . . 63.33 109.714 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 24.4 t80 -86.0 113.58 22.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.222 -0.658 . . . . 73.35 109.222 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mm -108.68 102.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.362 -0.381 . . . . 74.03 110.121 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.73 150.34 18.67 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 119.815 -1.184 . . . . 61.35 111.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.37 26.07 21.92 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.951 -0.642 . . . . 42.13 112.648 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.734 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -96.46 167.7 11.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 44.43 110.961 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m -72.46 166.68 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 64.22 111.063 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.85 -7.07 59.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.553 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -93.93 -9.52 36.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 54.12 110.047 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.734 ' HB ' HD13 ' A' ' 21' ' ' LEU . 86.3 m -73.61 104.85 4.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.67 -0.695 . . . . 71.11 110.689 176.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.5 t -116.25 -177.3 3.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.827 -0.624 . . . . 62.43 109.388 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.39 -55.18 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.27 0.47 . . . . 63.14 112.27 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.57 -35.78 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 65.32 111.701 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 -13.93 41.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.576 -0.45 . . . . 54.42 111.214 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD22 HG12 ' A' ' 45' ' ' VAL . 24.8 tp -81.28 -51.03 8.82 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.487 -0.56 . . . . 74.2 109.487 173.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 8.3 ptt180 -63.75 -37.47 87.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.701 -0.681 . . . . 75.44 110.652 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -60.6 -34.14 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.12 111.167 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 44.8 m80 -89.66 -4.41 57.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.992 0.368 . . . . 72.32 111.992 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' HB2' HD11 ' A' ' 40' ' ' LEU . 42.0 m-85 -116.64 -16.06 10.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.274 0.472 . . . . 64.13 112.274 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 47.7 mt-10 -75.76 8.12 3.29 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.178 0.513 . . . . 74.13 110.647 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -84.07 -28.75 27.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.976 -0.556 . . . . 72.5 111.177 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.591 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -107.37 11.37 29.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 71.44 110.531 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.511 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 164.51 -159.18 32.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.26 -0.972 . . . . 71.44 113.252 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.5 m -115.24 121.74 43.86 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.529 0.331 . . . . 74.55 110.864 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.6 mt -91.66 100.51 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.191 0.52 . . . . 62.21 110.1 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.3 p -75.69 -21.4 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.984 -1.007 . . . . 75.4 110.204 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 30.4 t70 -143.31 103.65 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.368 -0.833 . . . . 64.5 110.091 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -112.17 145.7 39.38 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.626 -0.509 . . . . 41.31 109.626 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -168.02 141.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 53.41 110.985 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 26' ' ' THR . 34.9 m -122.41 151.28 26.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.41 -0.589 . . . . 65.12 109.41 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 C--N 1.315 -0.894 0 N-CA-C 108.097 -1.075 . . . . 72.1 108.097 174.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.696 0.284 . . . . 71.24 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.6 70.19 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.468 -0.873 . . . . 42.34 112.823 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.0 158.98 20.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.773 0.321 . . . . 61.12 110.561 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.72 -173.09 25.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.213 -0.517 . . . . 45.01 112.338 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.2 m-85 -135.99 149.46 48.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.101 0.477 . . . . 70.34 111.041 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.15 112.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.564 -0.744 . . . . 72.44 110.787 -178.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.648 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -97.29 116.95 30.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 71.45 110.104 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' THR . 61.7 m-85 -79.18 174.28 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.334 -0.394 . . . . 73.15 110.944 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.63 61.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.298 0.57 . . . . 75.11 109.67 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.3 t -141.69 156.82 45.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.812 . . . . 73.13 110.073 179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' HD21 ' A' ' 13' ' ' LEU . 3.2 p -57.39 -28.72 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 53.03 111.65 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.12 -32.34 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 64.32 111.508 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.2 mt-10 -75.96 -38.2 57.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.124 0.488 . . . . 72.5 109.946 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 16' ' ' LEU . 42.2 t -56.34 -46.31 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.43 -0.804 . . . . 65.14 110.411 174.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.79 -47.75 73.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 75.55 111.037 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.6 97.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 63.3 111.2 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.64 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.242 -0.436 . . . . 63.32 110.754 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.728 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 mtt -69.54 -33.39 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.908 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -71.6 -17.66 62.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 73.43 110.762 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.19 22.39 3.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.856 -0.611 . . . . 61.31 112.273 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.728 ' HD2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -94.41 154.44 40.27 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.162 -0.31 . . . . 62.14 110.162 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 23.4 Cg_exo -64.65 125.18 4.84 Favored 'Cis proline' 0 C--O 1.236 0.403 0 C-N-CA 123.662 -1.391 . . . . 51.44 112.187 -0.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 22.8 t-80 -71.49 161.66 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.387 -0.824 . . . . 70.51 110.476 -174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -142.36 110.46 5.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.098 0.475 . . . . 74.41 110.853 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.51 129.02 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 73.44 109.847 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.74 22.84 13.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.6 0.714 . . . . 74.53 110.246 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.66 8.63 87.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.838 -0.696 . . . . 73.22 112.172 -176.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -110.88 138.09 47.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.557 0.218 . . . . 72.45 110.719 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -85.46 123.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.24 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.528 HG11 ' HB3' ' A' ' 21' ' ' LEU . 26.2 m -118.08 168.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.052 -0.522 . . . . 75.45 111.147 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -113.23 105.35 55.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.581 . . . . 64.13 109.927 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.0 Cg_endo -89.7 106.94 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.914 2.409 . . . . 75.52 111.894 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -122.83 162.01 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.12 110.339 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -61.65 141.71 57.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.425 -0.352 . . . . 63.22 110.539 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.41 149.72 31.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.439 0.638 . . . . 65.24 111.473 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-N 115.076 -0.965 . . . . 43.44 108.438 174.127 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 108.183 -1.043 . . . . 72.45 108.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -48.98 -56.72 8.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.762 -1.108 . . . . 63.24 111.737 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -8.59 59.64 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.486 -0.486 . . . . 72.33 110.684 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -99.44 -1.06 39.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 74.03 110.202 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.5 ttmm -105.86 139.85 39.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 71.21 110.207 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.658 ' HG ' HG13 ' A' ' 68' ' ' VAL . 6.4 mt -101.47 130.88 47.81 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.603 -0.726 . . . . 71.51 110.599 175.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -91.55 118.56 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.597 -0.729 . . . . 72.32 109.438 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -109.48 98.45 7.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.287 -0.415 . . . . 54.24 110.328 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 146.02 17.23 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.193 -1.003 . . . . 32.1 112.283 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 37.59 7.73 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 72.12 112.412 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.8 pp -103.53 169.61 8.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 74.51 110.795 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -74.52 162.38 28.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.963 -0.562 . . . . 60.22 111.157 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -83.85 8.7 14.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.361 0.6 . . . . 72.35 110.443 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -106.18 -7.83 17.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.324 -0.853 . . . . 65.11 109.496 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.564 ' HB ' HD13 ' A' ' 21' ' ' LEU . 25.2 m -70.27 118.16 12.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.496 -0.774 . . . . 60.22 110.29 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -119.55 163.87 16.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.311 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.26 -45.16 65.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.507 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.33 -38.73 92.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.599 . . . . 74.13 111.874 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -83.9 -28.18 28.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.542 . . . . 51.42 110.057 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 34' ' ' PHE . 3.0 tm? -64.03 -53.59 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.797 -0.816 . . . . 74.44 108.797 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.575 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 ptt180 -66.9 -35.78 80.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.026 -0.533 . . . . 75.4 110.103 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 t -64.39 -31.99 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.633 0.254 . . . . 64.42 111.132 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 43.9 m80 -91.26 -6.4 53.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.619 0.229 . . . . 73.44 111.619 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 36.9 m-85 -111.54 -21.54 11.7 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 62.44 112.052 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 50.2 mt-10 -72.17 8.15 1.42 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.178 0.513 . . . . 74.34 111.068 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 34' ' ' PHE . 71.6 mt-30 -84.91 -28.07 26.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.031 -0.531 . . . . 71.32 111.137 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.553 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.1 m-90 -108.9 8.02 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.908 -0.317 . . . . 74.52 110.645 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.99 -173.89 42.89 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 119.973 -1.108 . . . . 73.34 113.72 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 27.8 m -102.47 124.55 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.663 0.385 . . . . 72.34 110.618 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.594 HD22 HG23 ' A' ' 60' ' ' VAL . 11.1 mt -92.73 112.36 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.251 0.548 . . . . 42.4 111.108 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.41 -27.78 34.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.385 -0.825 . . . . 54.31 109.982 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.11 94.89 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.7 -0.682 . . . . 74.3 111.072 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.1 p -107.11 128.47 54.42 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.275 -0.639 . . . . 75.13 109.275 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.57 130.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 72.13 112.014 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -107.31 130.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 64.11 110.089 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.612 -0.514 . . . . 64.14 109.612 -179.601 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.888 0.375 . . . . 73.41 110.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.82 13.71 69.01 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.757 -0.656 . . . . 72.21 111.785 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -162.08 159.38 26.11 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 63.24 111.008 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.91 177.88 30.33 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.2 -0.909 . . . . 53.04 111.018 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -128.85 149.99 50.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.48 0.657 . . . . 74.24 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -144.71 103.64 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.782 -1.099 . . . . 74.51 109.747 -176.47 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -98.26 119.71 37.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.511 -0.768 . . . . 74.14 109.651 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.448 ' HE2' HD12 ' A' ' 16' ' ' LEU . 59.5 m-85 -87.19 175.52 8.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.804 0.335 . . . . 73.23 110.628 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.88 65.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 54.44 109.907 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -138.92 162.22 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.462 -0.79 . . . . 75.44 110.034 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.8 -30.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.327 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.13 -38.52 73.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 52.25 111.454 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -72.64 -36.42 68.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 65.55 110.29 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.658 HG13 ' HG ' ' A' ' 16' ' ' LEU . 25.2 t -59.91 -49.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 72.43 110.303 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.31 -36.1 77.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 74.04 110.938 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.24 91.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 63.51 110.56 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 74.23 110.473 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.637 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 34.2 mtt -68.94 -42.31 76.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.068 -0.515 . . . . 61.32 110.449 177.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -66.67 -15.51 63.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 45.31 110.451 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 1.35 56.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.761 -0.654 . . . . 64.34 111.721 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.656 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 36.7 ptt180 -82.46 154.11 68.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.106 -0.331 . . . . 61.53 110.106 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.656 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 39.5 Cg_exo -59.58 128.42 3.98 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.455 -1.477 . . . . 75.44 112.687 0.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.493 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 28.2 t-80 -80.53 165.72 21.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.257 -0.883 . . . . 62.34 110.347 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -142.46 110.7 6.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.373 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.08 129.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 75.11 109.655 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 67.46 18.32 10.07 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.617 0.723 . . . . 71.21 110.156 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.89 6.44 89.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.993 -0.623 . . . . 42.13 111.673 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 21.5 tpp180 -103.87 127.45 51.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 75.12 110.131 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 69.3 t -77.46 108.0 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.686 -0.487 . . . . 74.14 109.686 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -106.41 173.28 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.122 -0.49 . . . . 71.15 111.071 -176.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.44 107.16 23.82 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.875 -0.602 . . . . 72.32 110.022 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -89.77 120.48 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.111 2.54 . . . . 75.51 112.258 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -128.49 158.99 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.051 -0.522 . . . . 63.3 110.505 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.38 124.17 19.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.703 -0.48 . . . . 71.53 109.703 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -71.34 159.18 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.177 0.513 . . . . 64.04 111.7 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 109.016 -0.735 . . . . 44.2 109.016 175.678 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.254 -0.647 . . . . 72.24 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -51.69 -57.87 7.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.117 -0.947 . . . . 73.45 112.02 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -4.97 59.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.741 -0.384 . . . . 63.05 111.644 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -101.81 -10.88 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.911 0.386 . . . . 74.1 110.666 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.9 ttmm -91.74 134.96 34.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.251 0.548 . . . . 61.54 110.052 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 68' ' ' VAL . 9.5 tp -100.75 127.64 47.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 74.43 109.577 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -88.59 115.89 26.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.989 -0.55 . . . . 61.0 109.713 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 30' ' ' LEU . 9.1 mm -107.4 94.31 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.012 -0.54 . . . . 73.31 109.946 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.96 145.04 16.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.333 -0.937 . . . . 25.13 111.982 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.74 6.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.769 -0.729 . . . . 52.51 112.01 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -109.64 174.23 5.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.166 0.508 . . . . 71.11 111.53 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -66.99 151.88 46.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.223 -0.899 . . . . 65.23 111.197 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -78.2 0.93 23.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.29 0.567 . . . . 74.02 109.901 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.41 -5.97 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.402 -0.817 . . . . 74.11 109.697 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.612 ' HB ' HD13 ' A' ' 21' ' ' LEU . 62.0 m -65.56 103.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 64.52 110.792 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -97.65 161.1 13.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.328 -0.851 . . . . 70.3 110.701 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG13 ' A' ' 45' ' ' VAL . 3.1 m-20 -46.31 -49.42 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.998 0.811 . . . . 72.1 111.505 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 29' ' ' SER . 7.5 pt-20 -64.29 -41.25 96.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 62.33 111.56 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.3 t -69.89 -35.89 74.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.146 0.498 . . . . 63.31 109.889 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 18' ' ' ILE . 3.6 tt -69.08 -50.25 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 50.23 109.468 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 ptm180 -62.9 -34.03 76.57 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.637 -0.425 . . . . 64.51 110.219 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.055 0.455 . . . . 52.44 110.412 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.597 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 59.0 m80 -83.6 -11.13 57.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.085 -0.507 . . . . 70.11 111.424 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 30' ' ' LEU . 32.3 m-85 -110.05 -14.93 14.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.406 0.521 . . . . 71.33 112.406 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 40' ' ' LEU . 27.9 mt-10 -75.85 15.58 0.51 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.348 0.594 . . . . 64.51 111.188 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.6 mt-30 -93.69 -36.08 12.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.808 -0.633 . . . . 61.03 110.649 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -101.25 11.26 39.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.964 -0.562 . . . . 53.45 110.221 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.575 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.3 -166.25 37.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.867 -0.683 . . . . 64.31 112.48 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -115.03 123.08 48.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.304 0.242 . . . . 62.54 110.825 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.2 mm? -85.49 116.05 23.57 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.981 -0.687 . . . . 53.01 109.788 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.6 p -83.63 -23.03 32.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.557 -0.747 . . . . 73.3 109.751 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.7 t70 -147.3 99.59 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.308 -0.86 . . . . 71.2 110.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 60' ' ' VAL . 12.6 t -113.66 141.01 47.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.727 -0.471 . . . . 74.21 109.727 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 10.5 p -162.01 140.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.392 -0.367 . . . . 64.41 111.045 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 27' ' ' ASP . 15.8 m -116.84 143.5 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.167 0.508 . . . . 73.51 110.345 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.763 -0.653 . . . . 74.22 110.721 -178.407 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 120.757 0.313 . . . . 63.15 111.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.42 7.33 2.81 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.161 -0.775 . . . . 65.1 111.161 -172.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -155.19 162.21 41.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.944 0.402 . . . . 64.32 110.826 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.07 -179.59 32.12 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.021 -0.832 . . . . 75.1 111.021 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.479 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.4 m-85 -134.47 152.91 52.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.149 0.5 . . . . 75.41 111.322 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.22 112.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 74.35 110.356 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 m -93.18 117.12 29.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.675 -0.693 . . . . 64.23 109.321 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -79.06 178.22 8.2 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.66 0.267 . . . . 75.24 110.72 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.72 49.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.284 0.564 . . . . 53.24 109.673 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.2 t -144.33 157.31 44.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.391 -0.822 . . . . 61.34 110.087 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.77 -23.54 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 70.42 111.856 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -61.92 -33.42 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.979 0.419 . . . . 74.23 111.14 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 28.5 mt-10 -76.32 -36.83 58.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.974 -0.557 . . . . 70.2 109.902 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.624 HG13 HD13 ' A' ' 16' ' ' LEU . 25.7 t -56.69 -48.05 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.52 -0.764 . . . . 32.33 110.572 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.94 -41.1 91.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 54.41 110.951 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.95 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 62.04 110.75 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.21 79.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.031 -0.531 . . . . 60.24 110.628 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.537 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.0 mtt -67.27 -45.85 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.508 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -59.51 -23.37 62.76 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.011 0.434 . . . . 35.12 110.688 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.58 0.88 32.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 75.55 112.053 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 21.9 ptt180 -73.1 147.36 88.12 Favored Pre-proline 0 C--O 1.233 0.226 0 N-CA-C 110.209 -0.293 . . . . 71.03 110.209 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 42.3 Cg_endo -66.58 127.14 7.85 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.348 -1.522 . . . . 73.13 112.616 1.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 30.0 t-80 -80.74 162.84 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.84 -0.618 . . . . 71.54 109.763 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -141.8 112.45 7.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.437 -0.347 . . . . 74.3 110.188 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.4 p -137.0 129.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.352 -0.385 . . . . 74.21 110.225 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 t70 64.71 19.64 11.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.554 -0.748 . . . . 63.35 110.383 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.94 17.53 74.58 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 115.935 -0.575 . . . . 52.21 112.562 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -120.74 121.88 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.935 -0.394 . . . . 71.31 109.935 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 88.5 t -64.41 120.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 72.42 109.948 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -115.64 174.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.053 0.454 . . . . 71.22 111.41 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.81 105.7 29.58 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.648 -0.706 . . . . 73.1 109.498 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HB2' HD21 ' A' ' 16' ' ' LEU . 29.8 Cg_endo -89.96 107.68 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.057 2.505 . . . . 64.33 112.268 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.65 162.04 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 63.21 110.778 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 130.75 46.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.282 -0.417 . . . . 75.35 110.125 176.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.22 139.72 46.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.141 0.496 . . . . 71.11 111.326 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 109.03 -0.73 . . . . 73.21 109.03 175.755 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.722 0.296 . . . . 73.42 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.8 pt20 -68.23 -31.5 71.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.295 0.569 . . . . 65.12 110.362 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.55 -38.93 67.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.554 -0.748 . . . . 44.32 110.547 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' HG2' HG13 ' A' ' 65' ' ' VAL . 95.9 mtt180 -81.06 -8.46 59.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.127 -0.942 . . . . 72.0 110.896 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 3.9 ttmp? -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.922 -0.581 . . . . 73.14 111.637 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.67 132.14 45.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.359 -0.837 . . . . 72.41 110.636 174.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 32.0 t80 -92.58 111.54 23.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.98 -0.748 . . . . 62.15 108.98 174.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 16' ' ' LEU . 19.3 mm -106.05 102.81 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.382 -0.372 . . . . 74.23 110.438 -175.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -111.48 147.05 17.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.252 -0.975 . . . . 73.21 112.45 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.69 53.68 2.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.986 -0.626 . . . . 54.24 112.68 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -123.89 166.36 15.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 51.05 110.882 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.19 160.97 23.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.11 -0.495 . . . . 74.4 111.726 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.53 1.3 30.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.476 0.655 . . . . 75.12 110.047 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -101.06 -14.32 17.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 74.3 109.597 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.66 ' HB ' HD13 ' A' ' 21' ' ' LEU . 33.2 m -72.27 109.66 6.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.197 -0.91 . . . . 73.43 110.576 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 28' ' ' GLU . 7.2 t -117.04 168.76 9.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.877 -0.601 . . . . 74.31 109.855 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.93 -50.7 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.752 0.658 . . . . 72.34 111.319 -175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.55 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.7 pt-20 -63.88 -44.68 92.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 74.13 111.95 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.8 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.14 0.495 . . . . 64.1 110.404 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.508 HD13 HG12 ' A' ' 45' ' ' VAL . 8.2 tt -76.76 -45.73 27.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.788 -0.642 . . . . 63.25 109.663 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.604 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 14.7 ptt180 -65.07 -34.15 77.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.029 -0.532 . . . . 72.34 110.229 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -62.25 -22.78 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 52.1 111.054 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.65 -38.89 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.14 111.056 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 40' ' ' LEU . 51.4 m-85 -82.51 -19.44 38.69 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.182 0.438 . . . . 75.52 112.182 -176.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 40.6 mt-10 -74.49 9.33 1.78 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.781 0.324 . . . . 73.03 110.96 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -90.59 -24.33 20.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.533 -0.303 . . . . 72.21 111.425 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.82 13.66 18.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.967 0.413 . . . . 72.32 110.4 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.549 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.48 -176.55 38.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.325 -0.941 . . . . 72.31 113.239 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -99.54 123.21 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 64.13 111.152 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD22 ' HB ' ' A' ' 60' ' ' VAL . 19.8 mt -93.91 112.76 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 61.13 109.988 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.1 p -80.61 -29.86 36.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.384 0.611 . . . . 62.12 109.449 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 15.0 m-20 -138.3 87.01 2.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 61.34 109.683 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 1.3 p -111.15 117.7 33.95 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.654 -0.703 . . . . 64.44 110.122 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.09 139.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.466 . . . . 55.11 110.919 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG12 HD13 ' A' ' 30' ' ' LEU . 23.9 m -101.6 163.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.348 -0.387 . . . . 75.52 110.096 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 C--N 1.318 -0.785 0 C-N-CA 120.596 -0.442 . . . . 74.42 110.423 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.847 ' HD3' ' HE2' ' A' ' 57' ' ' PHE . 5.7 ttt180 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.78 0.324 . . . . 74.23 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.68 13.21 5.72 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.729 -0.748 . . . . 52.32 112.124 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.847 ' HE2' ' HD3' ' A' ' 55' ' ' ARG . 10.5 p90 -165.53 166.26 18.39 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.943 -0.392 . . . . 72.11 109.943 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.58 -173.98 29.83 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.904 -0.665 . . . . 73.32 112.506 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 89.3 m-85 -131.96 150.32 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.336 0.588 . . . . 71.51 111.167 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.625 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -142.46 110.54 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.37 -0.832 . . . . 62.25 110.888 176.494 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 7.8 m -98.79 108.98 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.649 -0.705 . . . . 60.43 109.585 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HE2' HD12 ' A' ' 16' ' ' LEU . 63.4 m-85 -75.44 171.13 14.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.746 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.42 62.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.344 0.592 . . . . 63.24 109.841 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.556 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -151.31 156.11 40.12 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.33 -0.85 . . . . 62.0 109.799 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -62.3 -20.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 45.34 111.087 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.18 -36.82 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.685 . . . . 62.14 110.433 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HG3' HG23 ' A' ' 64' ' ' THR . 23.2 mt-10 -79.17 -35.34 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 74.53 110.138 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 72' ' ' MET . 31.4 t -56.37 -48.38 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.605 -0.725 . . . . 71.34 110.498 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.93 -38.94 83.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 73.13 110.952 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.08 93.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 75.14 110.658 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.47 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 75.54 110.392 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 38.8 mtt -70.54 -32.58 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.518 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -75.0 -15.6 60.65 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.019 0.437 . . . . 74.22 110.464 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.79 9.46 16.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.911 -0.586 . . . . 64.3 111.264 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 15.2 ptt180 -73.86 148.66 87.33 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.081 -0.509 . . . . 74.35 110.412 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 8.1 Cg_exo -71.84 124.17 8.47 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.615 -1.41 . . . . 72.23 111.544 -1.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 16.8 t-80 -67.85 155.44 39.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.249 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 5.2 tppp? -142.19 101.89 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 71.14 110.466 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 126.58 68.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 70.05 109.947 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 65.13 21.41 12.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 75.32 110.189 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 79.19 12.21 84.23 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.857 -0.687 . . . . 42.11 111.969 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.9 tpt85 -111.67 127.44 55.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.066 -0.346 . . . . 73.24 110.066 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.2 t -78.61 107.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 71.34 109.826 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 33.2 m -100.51 172.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.046 -0.524 . . . . 74.31 111.195 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 43.9 tt0 -122.02 106.66 36.17 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.725 -0.67 . . . . 73.15 109.728 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 10.8 Cg_endo -88.89 108.68 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.156 2.571 . . . . 73.11 112.317 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -115.45 159.91 20.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.101 -0.499 . . . . 74.41 110.679 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -62.8 136.68 57.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.393 . . . . 63.42 110.022 175.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -80.47 157.68 26.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.318 0.58 . . . . 62.13 111.631 -177.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.247 -0.888 . . . . 72.13 109.237 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.9 tt0 . . . . . 0 C--O 1.223 -0.307 0 CA-C-O 120.715 0.293 . . . . 71.4 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.56 -50.95 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 72.32 111.317 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -90.27 -13.11 36.0 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.575 -0.45 . . . . 73.53 111.742 -172.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -95.88 -7.17 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.665 0.269 . . . . 70.03 111.008 177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -92.31 135.88 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 74.51 110.374 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.566 ' HG ' HG13 ' A' ' 68' ' ' VAL . 4.9 mt -95.58 128.1 42.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.761 -0.654 . . . . 55.13 110.746 174.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.23 113.8 25.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 63.55 109.199 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.4 mm -106.35 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.293 -0.412 . . . . 65.14 110.398 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 141.12 15.74 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.15 -1.024 . . . . 72.32 112.207 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.92 46.68 2.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.594 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.3 pp -117.34 170.03 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.58 0.229 . . . . 73.32 110.4 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 12.2 m -80.74 167.56 19.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.999 0.428 . . . . 73.55 111.058 -173.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -78.71 -5.27 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.232 0.539 . . . . 51.51 110.694 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -95.4 -7.1 39.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.65 . . . . 74.52 109.353 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 23.6 m -78.02 102.8 7.58 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.182 -0.917 . . . . 72.15 110.276 176.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' HG2' ' A' ' 28' ' ' GLU . 8.9 t -106.83 172.08 7.02 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.811 -0.44 . . . . 73.52 109.811 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG23 ' A' ' 45' ' ' VAL . 1.6 m-20 -50.15 -49.23 52.81 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.77 0.669 . . . . 72.25 111.74 -173.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.516 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 pt-20 -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 71.01 111.153 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.209 0.528 . . . . 75.11 109.931 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HA ' HG21 ' A' ' 79' ' ' VAL . 4.9 tt -75.48 -50.39 15.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.43 -0.804 . . . . 75.51 110.227 -173.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 ptm180 -60.74 -41.31 95.14 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.777 -0.369 . . . . 75.21 110.348 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 m -65.47 -22.54 66.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.876 0.37 . . . . 61.44 111.362 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -81.76 -46.19 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.763 0.316 . . . . 55.21 110.638 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' HB2' HD11 ' A' ' 40' ' ' LEU . 31.4 m-85 -79.15 -13.97 59.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.186 0.439 . . . . 62.04 112.186 -174.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 56.6 mt-10 -78.66 13.32 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 73.01 111.066 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.7 mt-30 -88.93 -33.64 17.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.209 0.528 . . . . 74.11 110.396 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 27.0 m-90 -102.79 9.64 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.871 -0.604 . . . . 62.12 110.556 -177.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.55 -170.73 39.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.256 -0.973 . . . . 45.41 113.345 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 32.3 m -106.87 124.29 49.4 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.503 0.321 . . . . 72.24 110.608 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.766 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.4 mt -93.94 108.26 20.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.103 -0.332 . . . . 74.34 110.103 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.9 p -82.99 -19.14 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.453 0.644 . . . . 62.23 109.72 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.586 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -145.82 97.28 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.119 -0.946 . . . . 62.43 109.863 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.71 143.65 49.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.65 0.262 . . . . 72.42 110.496 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.51 148.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 64.12 110.618 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG23 ' HA ' ' A' ' 27' ' ' ASP . 87.5 t -113.36 139.31 39.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.836 -0.431 . . . . 62.24 109.836 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 109.251 -0.648 . . . . 74.2 109.251 177.666 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.787 0.327 . . . . 72.42 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.66 13.48 7.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.509 -0.853 . . . . 60.32 112.608 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -161.77 164.0 29.19 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.718 0.294 . . . . 75.32 110.715 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.4 -169.96 22.51 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.282 -0.485 . . . . 74.45 112.317 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.494 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.7 m-85 -137.56 151.96 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 65.43 111.105 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.766 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -150.15 109.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 64.22 111.08 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 m -94.75 119.76 33.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.704 -0.68 . . . . 55.45 109.706 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' THR . 46.4 m-85 -84.71 169.47 14.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.38 -0.373 . . . . 73.14 110.931 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.6 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 61.22 110.572 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.494 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.2 t -156.72 158.03 36.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.749 -0.659 . . . . 62.31 110.398 178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 27.3 m -58.31 -33.64 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 113.224 0.824 . . . . 73.4 113.224 -173.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.65 -21.07 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.674 -0.41 . . . . 74.32 111.681 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 11.5 mt-10 -74.41 -32.54 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.231 -0.655 . . . . 73.34 109.231 174.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -63.57 -44.09 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.461 -0.791 . . . . 54.31 109.611 172.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.49 -46.99 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.454 -0.794 . . . . 70.12 110.414 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -40.1 79.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 41.21 111.398 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.16 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 51.11 111.036 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 45.5 mtt -69.02 -36.2 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.391 . . . . 65.12 110.5 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.72 -18.04 62.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.928 -0.578 . . . . 71.04 109.809 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.24 4.51 42.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.366 -0.834 . . . . 63.01 110.588 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.579 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 30.2 ttp180 -83.45 137.32 42.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 74.43 109.505 174.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.579 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 46.8 Cg_endo -66.83 128.01 9.11 Favored 'Cis proline' 0 C--N 1.344 0.326 0 C-N-CA 123.502 -1.457 . . . . 61.41 113.068 5.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.525 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 31.9 t-80 -84.89 167.52 15.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.428 -0.805 . . . . 73.11 109.934 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 4.1 tppp? -143.47 109.68 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.811 0.339 . . . . 62.23 110.977 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.6 p -138.65 128.98 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 63.21 109.86 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.519 ' OD2' ' HB2' ' A' ' 22' ' ' SER . 37.9 t70 65.14 28.1 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.634 0.73 . . . . 72.43 110.351 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.515 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 71.11 16.37 74.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.787 -0.721 . . . . 64.24 111.86 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 5.9 tpp180 -117.78 129.98 56.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.304 -0.258 . . . . 62.44 110.304 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -78.91 118.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 42.03 109.914 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 32.7 m -113.51 163.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 74.54 111.405 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.35 105.04 51.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 53.45 110.19 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 9.5 Cg_endo -88.59 114.29 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.322 2.682 . . . . 74.02 112.478 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -126.74 159.76 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.511 -0.313 . . . . 72.1 110.863 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.67 132.41 53.76 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.315 -0.254 . . . . 73.43 110.315 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -80.01 162.9 24.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 71.21 112.054 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.428 -0.806 . . . . 73.31 109.278 176.166 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.494 0.188 . . . . 74.34 110.772 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -51.39 -58.84 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 62.43 112.207 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -8.45 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.469 -0.492 . . . . 70.04 111.478 -171.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtm105 -91.51 -17.64 25.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.825 -0.435 . . . . 72.13 109.825 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -84.53 128.79 34.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.36 0.6 . . . . 75.14 109.835 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 60' ' ' VAL . 9.7 tp -99.12 126.57 44.9 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.225 -0.898 . . . . 72.55 109.741 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -83.98 112.8 20.5 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.365 -0.606 . . . . 74.03 109.365 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 15.8 mm -104.42 92.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.951 -0.568 . . . . 71.31 109.934 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 57' ' ' PHE . . . -101.14 142.49 15.77 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.179 -1.01 . . . . 63.42 110.921 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 40.52 5.78 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.357 -0.925 . . . . 75.44 112.055 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -105.48 166.11 10.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.093 -0.706 . . . . 74.24 109.093 173.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.0 p -75.64 175.22 8.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 75.41 111.678 -170.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -85.8 2.19 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.274 0.559 . . . . 74.33 109.798 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -108.42 -10.68 15.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 75.44 109.704 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.6 m -64.57 126.37 27.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.757 -0.656 . . . . 61.41 109.918 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -131.82 165.79 23.04 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.144 -0.317 . . . . 64.13 110.144 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.3 m-20 -52.09 -40.84 61.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 71.12 111.647 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.35 -41.58 76.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 72.22 111.686 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 p -77.98 -31.27 50.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.145 -0.622 . . . . 75.24 109.535 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 45' ' ' VAL . 18.2 tp -61.73 -46.03 91.41 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.744 -0.662 . . . . 54.22 109.494 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.569 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.0 ptm180 -66.94 -43.22 83.76 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.373 -0.531 . . . . 71.53 109.898 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -62.34 -33.04 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.823 0.344 . . . . 72.42 111.703 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.405 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 21.8 m80 -81.62 -15.97 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.859 0.318 . . . . 72.42 111.859 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 40.3 m-85 -112.23 -19.22 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.793 0.664 . . . . 63.13 112.793 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' CD ' ' HE ' ' A' ' 31' ' ' ARG . 41.4 mt-10 -77.34 13.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.463 0.649 . . . . 63.23 110.344 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.3 mt-30 -79.58 -37.44 36.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 72.14 110.751 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.4 m-90 -107.39 10.52 29.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.499 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.37 -165.99 38.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.075 -1.06 . . . . 31.15 113.442 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.1 m -115.53 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 122.569 0.348 . . . . 75.13 110.566 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 60' ' ' VAL . 35.1 mt -92.96 109.91 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.206 0.527 . . . . 73.14 110.487 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.8 p -81.16 -17.79 48.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.499 -0.773 . . . . 73.42 110.094 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 61' ' ' THR . 25.4 t70 -148.31 105.39 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 63.21 110.519 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.31 131.5 56.5 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 110.019 -0.363 . . . . 63.45 110.019 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.34 125.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 62.03 111.115 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HD22 ' A' ' 30' ' ' LEU . 74.6 t -100.46 145.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.468 -0.568 . . . . 71.42 109.468 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.427 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 25.2 mmt . . . . . 0 C--N 1.322 -0.624 0 N-CA-C 109.865 -0.42 . . . . 70.31 109.865 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 121.008 0.432 . . . . 74.3 110.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.07 13.12 66.86 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.654 -0.784 . . . . 62.11 112.705 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 27.8 p90 -160.98 157.15 25.88 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.044 0.45 . . . . 63.44 111.2 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.71 -177.15 28.65 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.707 -0.679 . . . . 52.44 111.472 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -135.45 150.81 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.313 0.578 . . . . 65.34 111.311 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.678 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -148.92 111.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.203 -0.908 . . . . 74.32 110.618 -176.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -94.53 114.37 26.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.484 -0.78 . . . . 74.11 110.333 -176.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' THR . 64.9 m-85 -80.11 166.36 21.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.785 0.326 . . . . 74.25 110.907 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.12 -34.22 70.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.241 0.543 . . . . 73.23 110.016 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.7 t -143.19 154.25 43.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.456 -0.793 . . . . 61.25 109.893 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -55.72 -26.07 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.41 111.569 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.37 -43.85 75.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.341 0.591 . . . . 74.41 110.91 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 64' ' ' THR . 20.9 mt-10 -71.47 -34.25 70.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 72.04 110.333 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 16' ' ' LEU . 48.3 t -58.57 -48.47 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.551 -0.749 . . . . 73.21 110.285 174.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -57.61 -45.69 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.789 -0.641 . . . . 61.54 110.361 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.84 80.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 74.02 111.246 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.24 78.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.384 -0.371 . . . . 72.12 111.172 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.4 mtt -69.93 -31.47 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 74.24 110.725 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -80.98 -12.28 59.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 71.14 111.182 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.64 10.68 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.887 0.375 . . . . 62.43 111.741 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.673 ' HD3' ' HD2' ' A' ' 86' ' ' PRO . 87.2 mtm180 -75.42 157.74 84.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.396 -0.366 . . . . 71.2 110.825 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 21.0 Cg_exo -65.09 130.01 10.21 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.932 -1.278 . . . . 71.24 112.888 1.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -80.77 147.9 30.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 64.32 110.202 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.0 tppt? -131.89 112.59 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 71.44 110.528 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.403 HG21 ' CE2' ' A' ' 34' ' ' PHE . 90.5 t -124.82 119.35 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.249 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.75 25.04 14.04 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.537 0.684 . . . . 41.22 110.701 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 81.85 7.66 87.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.592 -0.813 . . . . 72.13 111.99 -177.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -113.39 125.73 54.57 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.493 0.317 . . . . 74.41 110.184 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.63 114.6 10.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.822 -0.436 . . . . 71.23 109.822 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -103.76 172.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.953 -0.567 . . . . 70.32 110.703 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 44.7 tt0 -126.43 105.88 24.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 74.13 109.675 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.673 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 10.5 Cg_endo -88.47 111.19 0.63 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.251 2.634 . . . . 53.1 112.403 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -121.29 159.25 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.941 -0.572 . . . . 60.53 110.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.452 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -60.77 131.82 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.097 -0.334 . . . . 73.45 110.097 177.276 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.05 141.7 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.37 0.605 . . . . 63.35 111.704 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.4 -0.818 . . . . 74.45 109.566 176.691 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.364 0 N-CA-C 109.857 -0.423 . . . . 74.04 109.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 4.8 tt0 -56.6 -57.56 11.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.047 -0.524 . . . . 63.04 111.633 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -74.1 -10.88 60.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.101 0.477 . . . . 70.14 110.836 -173.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -102.78 -6.57 22.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.96 -0.563 . . . . 74.51 110.537 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.2 ttmm -95.39 130.4 42.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.52 0.676 . . . . 72.04 110.888 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' HG23 ' A' ' 60' ' ' VAL . 6.2 mt -97.19 131.06 44.29 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.094 -0.957 . . . . 64.1 110.478 174.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.535 ' HB3' ' HG2' ' A' ' 87' ' ' LYS . 14.7 t80 -90.53 115.27 27.54 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.044 -0.724 . . . . 73.21 109.044 175.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 mm -107.24 97.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.829 0.347 . . . . 64.12 110.31 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.95 143.98 15.77 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.139 -1.029 . . . . 52.42 112.425 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.04 47.58 5.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 74.41 112.761 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.7 pp -109.43 170.52 8.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.732 0.266 . . . . 73.12 110.318 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.6 p -73.03 164.93 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.204 0.526 . . . . 43.2 111.238 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.91 3.35 34.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.28 0.562 . . . . 75.32 109.969 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 22.1 mt-10 -104.08 -9.02 19.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.595 -0.73 . . . . 74.43 109.048 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.3 m -65.08 99.63 0.38 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.546 -0.752 . . . . 73.03 110.751 176.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 t -94.68 157.35 16.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.874 -0.603 . . . . 72.32 109.601 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 6.7 m-20 -50.9 -42.59 59.42 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.628 0.58 . . . . 71.54 111.542 -174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.34 -40.39 93.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 74.35 111.252 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.6 m -71.17 -38.72 72.15 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.443 -0.577 . . . . 64.4 109.443 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 45' ' ' VAL . 2.9 tm? -61.46 -49.12 78.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.282 -0.872 . . . . 61.22 109.878 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptm180 -64.65 -40.43 95.44 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.588 -0.445 . . . . 71.33 110.284 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -59.59 -38.39 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 72.34 111.507 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.547 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 74.1 m80 -78.45 -20.47 50.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.629 -0.26 . . . . 75.12 111.592 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.1 m-85 -103.2 -20.46 14.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.37 0.507 . . . . 71.22 112.37 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 81.2 mt-10 -75.99 13.42 0.87 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.066 0.46 . . . . 75.23 110.989 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -90.79 -25.34 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 70.13 111.106 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.547 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.0 m-90 -112.84 13.33 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 72.34 110.274 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.77 -166.03 39.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.528 -0.844 . . . . 61.12 112.952 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 53.8 m -115.87 120.95 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.472 0.309 . . . . 61.35 110.355 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD22 ' HB ' ' A' ' 60' ' ' VAL . 31.0 mt -90.71 106.52 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.391 -0.524 . . . . 74.14 110.736 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.6 p -75.29 -28.48 59.76 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 73.32 109.347 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.9 t70 -139.91 98.99 3.58 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.762 -1.108 . . . . 73.22 110.275 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.08 132.98 55.21 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.7 -0.481 . . . . 74.42 109.7 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 7.3 p -162.81 129.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.296 0.569 . . . . 74.45 111.382 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.492 HG22 ' HG ' ' A' ' 30' ' ' LEU . 54.1 t -92.72 131.78 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.487 -0.931 . . . . 72.02 108.487 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 mmt . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 121.792 0.806 . . . . 73.25 110.115 -179.374 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 N--CA 1.457 -0.114 0 N-CA-C 112.332 0.493 . . . . 71.24 112.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.51 10.89 18.68 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.056 -1.068 . . . . 73.03 112.48 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 7.1 p90 -162.06 161.29 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.138 -0.319 . . . . 74.21 110.138 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 45' ' ' VAL . . . -162.26 -167.71 23.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.946 -0.645 . . . . 64.55 112.764 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -134.95 156.8 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 74.14 111.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.98 109.95 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-N 115.723 -0.671 . . . . 73.31 111.142 178.291 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 6.0 m -93.93 115.33 27.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.768 -0.651 . . . . 74.13 109.34 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.46 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.6 m-85 -82.61 171.56 13.92 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.268 -0.423 . . . . 74.22 110.344 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.53 63.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 54.03 109.786 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 66' ' ' GLU . 9.3 t -161.83 174.62 12.91 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 71.13 110.388 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.12 -36.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.798 0.666 . . . . 74.43 112.798 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 64' ' ' THR . 2.9 pm0 -62.76 -19.61 64.15 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.901 0.334 . . . . 74.13 111.901 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.2 mt-10 -80.08 -42.83 22.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.765 -0.458 . . . . 74.44 109.765 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 16' ' ' LEU . 26.4 t -56.54 -45.35 82.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 72.24 110.123 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.55 -45.19 73.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.313 -0.858 . . . . 61.14 110.931 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.42 87.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 51.52 110.942 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.11 69.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.294 -0.412 . . . . 73.13 110.602 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 40.1 mtt -72.32 -36.64 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.299 -0.409 . . . . 70.42 110.039 176.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.67 -9.26 57.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.068 -0.515 . . . . 72.51 110.526 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -1.33 57.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.849 -0.614 . . . . 71.24 110.608 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.662 ' HG3' ' HA ' ' A' ' 76' ' ' PRO . 43.5 ttp180 -74.03 139.92 76.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 72.33 110.092 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.662 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . 52.7 Cg_endo -68.55 123.86 6.49 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.477 -1.468 . . . . 63.21 112.896 2.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 23.9 t-80 -75.45 161.15 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 75.31 109.739 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -143.44 111.94 6.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.417 -0.356 . . . . 72.53 110.044 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.6 p -136.81 128.95 44.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.998 -0.546 . . . . 61.21 110.337 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 24' ' ' GLU . 8.2 t70 64.07 19.82 11.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.558 -0.746 . . . . 60.53 110.711 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.66 15.52 73.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.849 -0.691 . . . . 62.4 112.176 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.8 tpt180 -119.79 132.71 55.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 73.33 110.506 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.16 122.28 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 64.01 109.861 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -120.36 164.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.103 0.477 . . . . 74.32 111.626 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -117.84 107.74 43.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.481 -0.781 . . . . 60.24 109.884 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -91.04 115.72 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.185 2.59 . . . . 54.54 112.309 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 18.5 ptpt -121.62 160.42 24.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 53.14 110.728 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 119.41 7.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.54 -0.541 . . . . 74.43 109.54 176.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -74.26 130.64 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.124 0.488 . . . . 62.53 111.073 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.962 -0.563 . . . . 73.32 109.865 175.741 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.591 ' HG2' ' HE2' ' A' ' 15' ' ' LYS . 45.0 tt0 . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 110.563 -0.162 . . . . 63.15 110.563 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -60.34 -30.97 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.29 0.567 . . . . 73.43 110.255 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.32 -41.04 77.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.592 -0.731 . . . . 74.52 110.488 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -90.97 -5.0 56.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.212 -0.904 . . . . 72.1 111.161 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.6 ttmm -96.49 131.99 42.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.014 -0.539 . . . . 71.13 109.871 -177.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -100.1 128.48 46.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.418 -0.81 . . . . 72.21 109.953 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 26.7 t80 -85.9 117.73 24.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.168 -0.679 . . . . 73.22 109.168 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 9.7 mm -107.95 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.61 -0.268 . . . . 74.25 110.337 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.32 140.43 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.861 . . . . 64.42 110.946 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.53 1.77 26.02 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.344 -0.931 . . . . 61.32 112.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.4 pp -82.46 163.03 21.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 73.21 111.114 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.7 p -77.83 177.71 7.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 74.11 111.304 -172.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -85.76 2.66 44.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 74.33 109.837 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.81 -9.53 18.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 65.14 109.862 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.683 ' HB ' HD13 ' A' ' 21' ' ' LEU . 37.2 m -71.85 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.438 -0.801 . . . . 71.04 111.032 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 29' ' ' SER . 3.0 t -84.88 161.9 19.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 74.54 110.311 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.3 p-10 -59.01 -42.97 91.4 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.037 0.446 . . . . 62.41 111.252 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.19 -42.21 98.17 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.513 -0.767 . . . . 72.42 111.383 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 26' ' ' THR . 32.6 t -70.08 -39.13 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.251 -0.648 . . . . 63.43 109.251 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 25' ' ' THR . 2.4 tm? -63.59 -44.06 95.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 74.32 109.525 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 20.3 ptt85 -67.27 -39.13 86.03 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.766 -0.374 . . . . 70.43 110.127 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -60.66 -34.89 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 72.01 110.927 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -81.17 -28.31 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.603 -0.271 . . . . 65.45 111.523 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 40.4 m-85 -95.54 -15.89 22.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.495 0.554 . . . . 73.22 112.495 -177.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 64.9 mt-10 -80.4 10.43 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 75.14 110.673 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -82.84 -36.23 25.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.618 -0.719 . . . . 71.22 111.028 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -106.0 1.73 26.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.696 0.284 . . . . 73.34 110.968 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.6 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -179.2 174.13 46.12 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.019 -1.086 . . . . 53.23 113.24 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 66.3 m -93.69 126.63 38.97 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.571 0.348 . . . . 71.23 110.74 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.823 HD22 ' HB ' ' A' ' 60' ' ' VAL . 25.8 mt -98.07 111.02 23.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 73.03 110.27 175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -83.12 -21.96 33.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.426 0.631 . . . . 65.51 109.984 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 31.5 t70 -141.23 102.7 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.382 -0.826 . . . . 53.13 110.328 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.3 p -112.59 128.71 56.44 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.388 -0.369 . . . . 65.24 110.017 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.77 131.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.288 0.566 . . . . 72.15 110.968 -177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 27' ' ' ASP . 54.4 t -115.69 135.53 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.999 -0.546 . . . . 73.44 109.761 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.972 -0.558 . . . . 74.22 110.172 -177.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 N--CA 1.46 0.059 0 N-CA-C 111.834 0.309 . . . . 62.43 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.45 5.92 74.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.564 -0.826 . . . . 53.43 112.59 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 11.4 p90 -158.46 161.37 37.43 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.991 0.424 . . . . 72.11 111.312 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 -178.98 31.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.512 -0.767 . . . . 72.03 111.455 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.52 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.4 m-85 -134.47 148.74 50.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 75.44 111.18 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.823 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -143.96 111.49 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.42 -0.809 . . . . 73.1 111.104 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.1 m -90.75 115.4 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 74.5 109.343 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 65.1 m-85 -81.78 164.06 21.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 75.13 110.736 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.682 -0.69 . . . . 74.32 110.801 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.543 HG23 ' HG2' ' A' ' 67' ' ' GLU . 3.0 t -160.07 163.21 34.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.417 -0.811 . . . . 74.44 109.834 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.59 -28.44 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 60.1 111.259 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.72 -34.29 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 74.44 111.108 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.0 mm-40 -68.97 -39.11 79.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.815 -0.629 . . . . 51.15 109.834 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 16' ' ' LEU . 36.3 t -60.64 -44.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.158 -0.928 . . . . 61.35 111.196 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.52 -46.06 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.406 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.551 -0.295 . . . . 74.12 111.08 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.83 89.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.18 -0.464 . . . . 55.12 111.034 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.1 mtt -66.97 -37.04 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.363 -0.381 . . . . 72.44 110.676 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 84.2 m-20 -69.15 -17.02 63.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 75.2 110.898 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.33 23.98 1.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 71.3 111.346 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -72.35 146.65 89.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 71.12 110.224 178.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.52 130.37 18.21 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.694 -1.378 . . . . 62.15 111.425 -2.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.036 -0.529 . . . . 74.45 110.364 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -141.2 103.52 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.367 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 130.46 71.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.976 -0.556 . . . . 75.43 109.906 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.35 28.24 17.73 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.699 0.762 . . . . 73.3 109.859 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.99 17.81 72.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 73.14 111.905 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -114.71 135.83 53.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.232 -0.284 . . . . 61.51 110.232 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.35 121.27 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.931 -0.396 . . . . 75.22 109.931 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -117.52 170.27 7.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.009 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.1 mt-10 -118.65 107.82 42.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.941 -0.572 . . . . 75.25 109.804 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HB2' HD21 ' A' ' 16' ' ' LEU . 18.8 Cg_endo -89.55 106.14 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 123.064 2.509 . . . . 72.43 111.826 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -118.85 167.6 11.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.879 -175.788 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.32 141.69 58.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.997 -0.372 . . . . 75.21 109.997 177.136 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.07 143.3 27.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.178 0.513 . . . . 70.3 111.702 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 109.028 -0.73 . . . . 73.54 109.028 174.421 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.223 -0.34 0 CA-C-O 120.393 0.14 . . . . 73.04 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.15 -28.76 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.031 0.443 . . . . 70.22 110.968 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.49 0.662 . . . . 62.1 110.186 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -85.39 -6.29 59.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.904 -1.044 . . . . 61.01 110.618 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.8 ttmm -99.63 134.92 41.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.465 0.65 . . . . 73.04 110.62 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.621 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.71 134.18 42.98 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.081 -0.963 . . . . 73.13 110.863 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -93.71 111.83 23.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.868 -0.79 . . . . 62.45 108.868 173.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 16' ' ' LEU . 13.1 mm -105.88 98.38 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.368 -0.378 . . . . 73.51 110.164 -175.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -109.77 144.17 16.74 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.02 -1.086 . . . . 65.24 112.177 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.73 43.73 5.99 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.761 -0.733 . . . . 64.2 112.584 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.671 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -105.7 165.2 11.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 74.5 111.129 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.3 t -59.93 149.96 30.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 73.02 110.945 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.13 -12.02 61.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.155 0.502 . . . . 64.4 110.378 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.55 -7.73 49.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.329 0.585 . . . . 72.31 109.903 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 87.1 m -75.41 96.17 3.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.452 -0.795 . . . . 73.51 110.857 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.444 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.6 t -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.607 -0.724 . . . . 64.13 109.443 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.8 p-10 -52.3 -45.66 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.88 0.472 . . . . 42.44 111.985 -171.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.5 pt-20 -63.99 -34.69 78.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.798 -0.637 . . . . 72.03 111.701 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -79.5 -35.97 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.729 -0.841 . . . . 73.24 108.729 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD23 HG21 ' A' ' 25' ' ' THR . 2.9 tm? -64.96 -43.07 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.067 . . . . 72.15 109.551 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.8 ptm180 -66.71 -42.2 86.74 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.739 -0.384 . . . . 74.33 109.995 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.92 -27.12 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.52 111.329 -176.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CE1' ' H ' ' A' ' 80' ' ' ASP . 49.1 m80 -79.48 -48.38 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.375 . . . . 73.53 110.678 173.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 40' ' ' LEU . 29.1 m-85 -75.94 -18.81 59.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.369 0.507 . . . . 72.42 112.369 -174.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.3 mt-10 -75.74 11.88 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 70.51 111.084 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 43.7 mt-30 -85.47 -30.19 23.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.101 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 22.0 m-90 -108.33 14.29 24.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 75.01 110.273 -177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.79 -159.97 32.73 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.608 -0.806 . . . . 74.05 112.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 m -122.85 124.77 44.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.652 0.263 . . . . 63.52 110.662 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.1 mt -91.43 104.3 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 70.0 110.431 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.9 p -71.8 -23.2 61.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.833 0.825 . . . . 51.44 109.393 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 24.7 t70 -142.24 125.07 16.03 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.739 -1.118 . . . . 52.05 109.44 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.4 p -144.22 131.29 20.53 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.992 0.425 . . . . 71.14 110.371 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 p -164.55 138.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 72.14 110.857 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 27' ' ' ASP . 34.0 m -108.43 151.28 10.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.762 -0.829 . . . . 75.03 108.762 172.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 109.114 -0.699 . . . . 64.32 109.114 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mmt180 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.694 0.283 . . . . 72.11 110.971 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.61 18.17 49.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 74.54 112.519 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 22.0 p90 -170.85 161.94 7.34 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.41 -0.218 . . . . 73.34 110.41 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.36 -171.64 25.45 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.078 -0.582 . . . . 72.11 112.69 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -133.46 153.66 51.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 75.13 110.806 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -149.18 112.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 61.53 111.662 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.0 m -98.48 116.0 29.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.588 -0.733 . . . . 71.33 109.477 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.3 m-85 -80.24 176.49 9.72 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.126 0.489 . . . . 73.54 111.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.3 64.39 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.769 -0.65 . . . . 42.31 109.791 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.6 t -148.94 163.88 36.17 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.579 -0.737 . . . . 70.52 110.733 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.758 HG23 HH21 ' A' ' 88' ' ' ARG . 2.7 p -59.75 -32.03 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 73.5 111.528 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.89 -38.68 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 75.52 111.542 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 27.3 mt-10 -72.16 -36.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 73.44 110.686 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 72' ' ' MET . 21.0 t -59.02 -46.29 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.023 -0.535 . . . . 42.53 110.549 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.44 -41.26 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 74.52 110.932 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.53 87.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.726 0.298 . . . . 32.13 110.789 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.49 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.115 0.483 . . . . 74.44 110.449 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.0 mtt -70.13 -38.5 75.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 65.12 110.482 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -69.33 -16.13 63.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 65.14 110.857 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.19 -2.17 47.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 75.0 110.941 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 73.5 ttt180 -67.72 141.61 95.15 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.072 -0.513 . . . . 63.44 109.912 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 2.8 Cg_exo -71.93 117.47 3.79 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.903 -1.29 . . . . 72.14 112.52 4.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.64 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 25.0 t-80 -75.21 133.06 41.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.206 -0.906 . . . . 73.12 110.142 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -117.85 110.27 17.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.655 0.264 . . . . 72.4 110.359 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.78 124.39 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.673 -0.24 . . . . 54.52 110.805 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 25.5 t70 67.82 -58.31 0.44 Allowed 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.254 0.971 . . . . 71.2 111.179 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.84 33.62 0.03 OUTLIER Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.714 -1.355 . . . . 53.3 109.714 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -148.53 121.83 9.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.483 -0.859 . . . . 74.32 109.34 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.64 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 1.3 p -78.27 119.43 27.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.523 0.678 . . . . 62.34 110.586 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 21' ' ' LEU . 24.6 m -99.95 -178.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.972 -1.013 . . . . 73.52 111.554 -171.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -127.63 104.11 21.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.382 -0.826 . . . . 60.15 109.443 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -90.55 106.27 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.026 2.484 . . . . 75.31 112.459 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -113.98 165.47 12.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.629 . . . . 45.11 110.537 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.758 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -67.51 139.95 57.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.547 -0.297 . . . . 71.3 110.333 176.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.74 150.18 37.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.35 0.595 . . . . 73.44 111.032 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.339 -0.846 . . . . 74.12 108.952 178.558 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.154 0 CA-C-O 121.911 0.862 . . . . 73.22 109.205 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.3 -51.1 71.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.56 -1.2 . . . . 71.43 110.66 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.92 -14.65 44.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.734 0.302 . . . . 72.43 111.159 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -93.81 -4.31 50.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 73.21 110.683 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 3.0 ttmp? -97.7 130.76 44.66 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.876 -0.602 . . . . 64.41 110.406 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 6.1 mt -98.43 130.79 45.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 64.3 110.371 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.456 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 17.4 t80 -90.33 110.14 21.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.793 -0.639 . . . . 74.22 109.315 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.441 HG22 HD23 ' A' ' 21' ' ' LEU . 15.8 mm -105.81 102.27 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-O 120.963 0.411 . . . . 71.53 110.373 -176.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -113.52 149.2 18.65 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.165 -1.017 . . . . 43.03 112.248 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 32.78 24.59 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.811 -0.709 . . . . 61.43 112.596 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.662 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.5 pp -96.46 168.11 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 72.34 111.649 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.427 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 30.9 t -60.73 145.04 50.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.323 -0.853 . . . . 61.52 110.727 -178.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.26 -5.33 38.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.097 0.475 . . . . 75.32 110.341 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -103.24 3.9 36.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.635 -0.711 . . . . 75.15 109.477 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.662 ' HB ' HD13 ' A' ' 21' ' ' LEU . 88.5 m -84.95 101.09 12.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.08 -0.963 . . . . 64.31 110.136 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.2 t -107.76 -172.46 2.07 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.734 -0.469 . . . . 62.05 109.734 176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -45.11 -58.36 3.28 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 123.411 0.684 . . . . 74.31 112.225 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.55 -40.15 96.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.06 -0.518 . . . . 53.33 110.99 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -65.59 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.196 0.522 . . . . 72.15 109.884 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 45' ' ' VAL . 29.3 tp -76.95 -48.52 17.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.627 -0.715 . . . . 74.53 110.328 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.0 ptp180 -63.87 -40.42 96.51 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.698 -0.401 . . . . 73.21 110.609 -174.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -66.07 -31.48 72.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.676 0.25 . . . . 61.25 111.676 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.531 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 18.6 m80 -89.85 -4.27 57.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.7 -0.4 . . . . 74.2 111.78 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -112.92 -21.38 11.16 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 53.52 111.863 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 40.2 mt-10 -73.58 11.08 0.88 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.967 0.413 . . . . 64.34 111.221 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.91 -18.64 24.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 75.42 110.91 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -118.83 15.51 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.216 0.531 . . . . 72.42 109.997 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.58 -170.5 38.17 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.139 -1.029 . . . . 43.01 113.505 177.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -107.94 123.86 49.27 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 122.761 0.424 . . . . 54.54 110.471 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 ' HG ' ' HG2' ' A' ' 35' ' ' GLU . 8.8 mt -92.36 109.04 20.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.066 -0.654 . . . . 73.24 110.435 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 p -78.4 -30.49 47.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.917 -0.583 . . . . 75.43 109.439 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 13.1 m-20 -140.12 92.4 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 71.4 111.12 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -109.62 137.61 47.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.709 -0.678 . . . . 65.23 109.176 175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -164.8 146.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.919 -0.313 . . . . 75.54 110.695 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 30' ' ' LEU . 34.2 m -117.17 156.63 18.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.152 -0.314 . . . . 74.43 110.152 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 C--N 1.322 -0.61 0 N-CA-C 109.504 -0.554 . . . . 73.03 109.504 178.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.698 0.285 . . . . 74.25 111.534 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.49 18.69 70.43 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 43.04 112.966 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 3.3 p90 -167.07 157.92 11.82 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.852 0.358 . . . . 62.42 110.424 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.47 -172.61 29.06 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 116.163 -0.472 . . . . 63.11 111.978 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 96.0 m-85 -132.92 151.26 52.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.696 . . . . 75.2 111.549 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -143.49 107.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.917 -1.038 . . . . 70.35 110.174 -178.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 11.0 m -100.44 113.76 26.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.686 -0.688 . . . . 74.12 110.064 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HE2' HD12 ' A' ' 16' ' ' LEU . 62.5 m-85 -80.28 174.22 11.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.048 -0.524 . . . . 70.44 110.753 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.91 -34.11 62.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.214 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 66' ' ' GLU . 3.8 t -147.38 158.37 43.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.643 -0.708 . . . . 61.4 110.234 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.24 -32.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.698 . . . . 64.41 112.803 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.4 pt-20 -63.31 -28.46 70.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.793 0.33 . . . . 70.41 111.201 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -74.27 -40.29 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.24 109.896 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 16' ' ' LEU . 24.8 t -57.81 -45.28 87.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 72.14 109.742 172.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.28 -41.07 92.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.319 -0.855 . . . . 70.33 110.871 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.3 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 51.53 110.878 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.63 74.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 55.4 110.411 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 27.7 mtt -69.56 -33.95 73.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.55 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.55 -18.27 62.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.065 0.459 . . . . 72.4 110.383 175.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.25 4.93 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.879 -0.601 . . . . 71.14 111.746 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.592 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 9.1 ptm180 -80.73 155.45 73.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.923 -0.399 . . . . 71.14 109.923 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 27.9 Cg_endo -62.22 128.19 5.54 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.472 -1.47 . . . . 73.01 112.277 0.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 27.3 t-80 -78.24 156.55 29.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 72.41 110.084 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -140.0 112.34 7.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.143 -0.48 . . . . 71.41 109.931 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.46 131.01 65.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.29 -0.413 . . . . 74.31 110.359 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 32.1 t70 69.1 -57.89 0.51 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.279 0.987 . . . . 64.11 110.935 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 170.07 29.58 0.02 OUTLIER Glycine 0 C--N 1.315 -0.617 0 N-CA-C 110.561 -1.015 . . . . 74.53 110.561 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -136.36 133.26 36.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.271 -0.465 . . . . 75.01 110.259 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 65.5 t -77.01 122.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.628 -0.508 . . . . 71.12 109.628 174.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 21' ' ' LEU . 33.1 m -119.02 167.65 12.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 75.13 111.648 -175.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -117.76 106.94 45.17 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.404 -0.817 . . . . 74.04 109.488 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -92.43 106.21 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.122 2.548 . . . . 71.42 112.168 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 9.3 ptpp? -113.14 156.99 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.434 -0.348 . . . . 73.54 110.827 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.92 126.55 27.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 73.45 109.555 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -78.69 147.99 33.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.288 0.566 . . . . 33.44 111.836 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.375 -0.829 . . . . 54.45 109.341 175.383 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--O 1.226 -0.141 0 CA-C-O 120.744 0.307 . . . . 73.51 110.424 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -56.36 -58.4 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 64.44 111.849 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -80.36 -7.84 59.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.273 . . . . 75.35 111.64 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -103.32 -2.24 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.037 0.446 . . . . 74.5 110.681 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HE2' ' HB1' ' A' ' 89' ' ' ALA . 7.2 ttpm? -103.11 135.17 45.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.811 -0.631 . . . . 51.44 110.09 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.13 128.59 53.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.731 -0.668 . . . . 63.24 110.201 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 17.4 t80 -87.86 120.19 28.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.922 -0.581 . . . . 74.53 109.508 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.58 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.1 mm -111.94 93.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.374 -0.376 . . . . 71.24 110.142 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 146.61 16.54 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.156 -1.021 . . . . 71.53 111.849 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.95 23.03 21.61 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.779 . . . . 25.41 112.534 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.0 pp -91.54 164.54 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.173 -0.306 . . . . 71.21 110.173 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 m -75.33 164.33 26.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.298 -0.41 . . . . 63.34 111.185 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -76.49 -5.61 48.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.607 0.718 . . . . 61.41 109.586 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.32 -17.6 32.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.703 -1.135 . . . . 70.24 109.436 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.681 ' HB ' HD13 ' A' ' 21' ' ' LEU . 94.6 m -74.46 115.02 13.52 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.121 -0.945 . . . . 70.12 110.771 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.3 t -118.35 171.56 8.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.318 -0.856 . . . . 74.35 109.389 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -48.09 43.27 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.605 0.362 . . . . 74.54 111.653 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.3 pt-20 -64.65 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 70.43 111.533 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -82.62 -29.13 30.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.218 -0.593 . . . . 65.01 109.765 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 18' ' ' ILE . 2.8 tm? -71.21 -52.13 20.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.942 -0.572 . . . . 52.21 109.815 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 3.8 ptm180 -67.38 -38.43 84.72 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.475 -0.49 . . . . 74.01 110.761 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -62.01 -32.43 72.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.698 0.285 . . . . 72.33 111.162 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.412 ' CE1' ' H ' ' A' ' 80' ' ' ASP . 21.7 m80 -72.41 -44.54 62.32 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.894 -0.322 . . . . 61.14 110.522 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 50.4 m-85 -80.13 -13.08 59.55 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.49 0.552 . . . . 74.35 112.49 -175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 34.5 mt-10 -76.74 3.3 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.073 0.463 . . . . 63.23 111.124 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.4 mt-30 -80.08 -33.7 38.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.231 -0.44 . . . . 60.11 110.841 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.3 m-90 -105.83 10.49 32.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.334 -0.394 . . . . 75.3 110.553 -178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.611 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 168.11 -174.83 42.99 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.093 -1.051 . . . . 65.11 113.497 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 39.7 m -108.89 120.8 43.59 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 122.536 0.334 . . . . 53.4 110.466 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.0 mt -89.56 103.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.016 0.436 . . . . 72.32 110.341 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.7 p -71.33 -28.72 64.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.639 -0.709 . . . . 63.01 109.969 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 33.5 t70 -139.08 107.64 5.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 75.34 110.247 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.538 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 31.3 p -113.65 149.6 34.4 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.815 -0.439 . . . . 51.33 109.815 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -173.19 140.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.214 0.53 . . . . 72.4 111.018 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -120.61 139.72 47.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.579 . . . . 75.22 109.779 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 1.2 mpt? . . . . . 0 C--N 1.315 -0.919 0 CA-C-N 116.092 -0.503 . . . . 63.32 110.275 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD2' ' HB3' ' A' ' 46' ' ' MET . 62.6 mtt180 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.604 0.24 . . . . 73.3 111.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.55 16.7 59.79 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.31 -0.948 . . . . 74.21 112.262 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -164.2 161.25 22.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.02 0.438 . . . . 71.52 110.951 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.39 -176.84 31.9 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.525 -0.762 . . . . 71.44 111.315 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -135.04 152.46 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.197 0.522 . . . . 54.43 111.242 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -146.59 113.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.367 -0.833 . . . . 60.21 110.846 -179.435 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 27.8 m -97.01 121.6 39.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.588 -0.733 . . . . 72.45 109.417 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.38 173.53 10.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.123 0.487 . . . . 72.2 111.288 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -38.52 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 74.2 109.469 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.5 t -141.29 156.19 45.9 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.643 -0.708 . . . . 71.12 109.869 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.91 -22.72 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 44.31 111.0 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.96 -38.51 76.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 70.42 110.497 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.636 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.6 mt-10 -74.13 -38.41 63.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.765 -0.652 . . . . 73.14 110.417 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.617 HG13 HD13 ' A' ' 16' ' ' LEU . 31.4 t -54.97 -45.84 76.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.792 -0.64 . . . . 74.15 110.545 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.65 -46.3 87.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 74.31 110.721 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.08 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.251 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.11 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 64.23 110.904 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.511 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 38.7 mtt -68.35 -41.26 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.531 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.42 -14.25 62.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.265 -0.425 . . . . 52.3 110.864 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.6 18.88 2.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.966 -0.561 . . . . 51.44 111.536 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -83.5 150.84 60.93 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.232 -0.284 . . . . 74.23 110.232 177.209 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 14.5 Cg_exo -68.81 120.9 4.56 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.568 -1.43 . . . . 61.32 111.494 -2.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.536 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 43.1 t-80 -72.68 142.3 48.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.217 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.82 115.37 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.896 0.379 . . . . 73.22 110.841 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' PHE . 86.3 t -127.43 122.77 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 52.53 109.849 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 25' ' ' THR . 3.2 m-20 63.39 22.56 13.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.781 0.432 . . . . 42.54 111.651 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.97 14.35 79.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 64.21 111.739 -176.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -115.98 129.94 56.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.909 -0.404 . . . . 74.34 109.909 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.11 106.33 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.896 0.379 . . . . 64.4 110.14 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.7 m -95.75 178.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.294 -0.412 . . . . 54.42 110.528 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.88 95.04 17.65 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 61.13 110.051 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 69.7 Cg_endo -81.56 120.59 3.58 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.836 2.357 . . . . 64.43 112.284 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -134.26 164.51 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 72.1 110.58 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 118.29 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 74.21 109.542 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.508 ' HB1' ' HE2' ' A' ' 15' ' ' LYS . . . -76.97 104.94 7.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 52.31 111.757 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 115.377 -0.829 . . . . 74.4 110.65 177.085 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.569 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.966 0.412 . . . . 75.32 110.174 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 90' ' ' VAL . 40.3 tt0 -51.74 -61.0 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.454 -0.793 . . . . 35.05 112.145 176.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.75 -6.78 59.35 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.703 -0.399 . . . . 73.1 111.143 -172.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -94.57 -10.98 30.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.231 0.538 . . . . 73.2 109.656 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -95.03 139.42 31.41 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.503 -0.771 . . . . 74.11 109.715 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -110.12 128.06 55.24 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.436 -0.802 . . . . 63.32 109.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -84.65 109.48 18.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 74.13 109.477 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG22 HD23 ' A' ' 21' ' ' LEU . 19.7 mm -106.43 103.21 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.055 -0.521 . . . . 74.34 110.466 -174.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.49 157.86 15.3 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.066 -1.064 . . . . 70.21 111.864 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.81 38.15 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.65 -0.785 . . . . 22.51 112.086 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.59 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.7 pp -96.14 -179.92 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 72.11 110.986 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -81.59 151.9 27.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.658 -0.701 . . . . 73.25 110.818 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.04 -6.99 49.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 74.43 110.148 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.597 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 14.8 mt-10 -92.15 -9.82 41.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.391 -0.822 . . . . 72.12 109.062 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 21' ' ' LEU . 28.5 m -74.46 114.03 12.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.185 -0.916 . . . . 71.24 109.993 175.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -119.92 -178.06 3.56 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 74.13 109.398 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.73 -51.26 29.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.139 0.422 . . . . 74.41 112.139 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.73 -36.62 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.392 -0.367 . . . . 63.34 111.216 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -70.07 -37.6 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.311 0.577 . . . . 73.14 109.57 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.34 -53.47 35.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.257 -0.883 . . . . 60.11 109.707 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.1 ptm180 -67.64 -42.0 82.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.276 -0.57 . . . . 74.25 110.953 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 m -64.18 -35.14 79.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.774 0.321 . . . . 75.05 111.486 -176.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB3' HG22 ' A' ' 79' ' ' VAL . 14.0 m80 -79.87 -12.98 59.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.522 -0.308 . . . . 72.43 111.721 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 79' ' ' VAL . 27.2 m-85 -108.58 -21.69 12.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.542 0.571 . . . . 74.45 112.542 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.686 ' HG2' HD13 ' A' ' 40' ' ' LEU . 48.5 mt-10 -75.15 15.01 0.47 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.117 0.484 . . . . 75.12 111.215 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.7 mt-30 -87.12 -32.87 19.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.918 -0.583 . . . . 70.41 110.692 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.2 m-90 -104.25 11.09 35.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.897 -0.592 . . . . 72.31 110.602 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.534 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.19 -166.97 39.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.416 -0.897 . . . . 62.24 112.689 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 121.9 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.371 0.269 . . . . 73.31 110.42 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.686 HD13 ' HG2' ' A' ' 35' ' ' GLU . 3.4 mp -90.47 114.64 26.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.47 -0.492 . . . . 72.31 109.883 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.89 -24.26 35.8 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.658 0.742 . . . . 75.14 109.374 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.578 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 6.8 m-20 -141.95 130.26 22.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.509 -1.223 . . . . 72.43 108.935 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.9 p -144.99 142.6 29.94 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.159 -0.682 . . . . 61.25 109.159 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.92 152.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.317 0.579 . . . . 63.34 111.737 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.34 140.3 45.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.046 -1.094 . . . . 74.43 108.046 169.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.058 -0.719 . . . . 70.14 109.058 177.148 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.837 ' HE ' ' HE2' ' A' ' 57' ' ' PHE . 5.7 mtp180 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.684 0.278 . . . . 73.54 110.953 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.09 19.39 72.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.31 113.384 174.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.837 ' HE2' ' HE ' ' A' ' 55' ' ' ARG . 15.8 p90 -166.14 161.36 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 74.13 110.266 176.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.36 -168.05 20.05 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.161 -0.542 . . . . 64.14 112.223 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.88 153.96 50.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.242 0.544 . . . . 71.33 110.773 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.686 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.0 p -147.15 124.72 3.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.35 -0.841 . . . . 75.52 110.044 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.578 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 6.8 m -115.98 117.86 31.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.405 -0.361 . . . . 75.42 110.268 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 70.1 m-85 -83.99 172.69 11.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.029 -0.532 . . . . 75.25 110.698 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.44 65.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.502 0.667 . . . . 73.03 109.815 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.2 t -148.57 155.36 41.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.939 -1.028 . . . . 64.12 109.493 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -64.78 -18.65 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.283 -0.417 . . . . 74.32 111.846 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -63.55 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.457 . . . . 72.54 110.485 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.8 mt-10 -77.96 -33.92 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.959 -0.564 . . . . 72.0 109.651 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 16' ' ' LEU . 16.2 t -59.28 -44.96 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.532 -0.758 . . . . 63.54 110.106 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.52 -45.76 84.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 64.31 110.5 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.43 89.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.173 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.91 85.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 44.41 110.884 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 42.0 mtt -64.3 -45.12 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.085 0.469 . . . . 70.24 110.511 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -69.75 -12.69 61.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 75.41 110.981 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.84 -6.07 59.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 63.31 111.172 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.621 ' HG2' ' HA ' ' A' ' 76' ' ' PRO . 7.0 tmm_? -56.53 138.74 75.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 62.15 110.506 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.621 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 10.6 Cg_exo -71.14 126.74 10.99 Favored 'Cis proline' 0 C--N 1.35 0.628 0 C-N-CA 123.839 -1.317 . . . . 63.04 112.904 1.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 38.0 t-80 -80.37 153.36 28.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.296 -0.865 . . . . 64.53 110.092 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -132.74 116.63 16.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.786 0.327 . . . . 73.31 110.421 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 33' ' ' HIS . 93.4 t -129.9 120.07 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.445 . . . . 34.42 110.143 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.597 ' OD2' ' HB2' ' A' ' 24' ' ' GLU . 18.2 t70 60.67 35.82 19.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.406 0.622 . . . . 74.34 110.892 177.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.87 14.18 80.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.901 -0.666 . . . . 62.43 112.423 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -124.13 134.02 53.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.25 -0.278 . . . . 73.52 110.25 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.64 113.49 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.48 -0.563 . . . . 53.41 109.48 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 21' ' ' LEU . 29.0 m -99.89 159.43 3.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.638 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.56 101.67 54.25 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.068 -0.515 . . . . 72.22 109.828 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HB2' HD21 ' A' ' 16' ' ' LEU . 56.3 Cg_endo -92.52 113.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.388 2.726 . . . . 71.12 113.013 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -124.0 162.18 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.32 110.234 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.07 136.01 57.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.18 -0.304 . . . . 75.12 110.18 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.97 164.67 22.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.475 0.655 . . . . 52.23 112.023 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' HA ' HE21 ' A' ' 12' ' ' GLN . 40.0 t . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.054 -0.975 . . . . 75.22 109.192 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 110.054 -0.35 . . . . 74.01 110.054 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -55.92 -57.98 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.031 0.443 . . . . 64.04 111.18 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -82.27 -9.86 59.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 74.12 111.785 -170.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG3' HH11 ' A' ' 14' ' ' ARG . 37.9 mtt85 -104.16 -2.2 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.482 -0.327 . . . . 72.45 110.874 177.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.3 ttmm -95.54 139.72 31.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.259 0.552 . . . . 65.35 109.861 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD13 HG13 ' A' ' 68' ' ' VAL . 10.8 tp -106.11 125.87 51.51 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.512 -0.767 . . . . 62.14 109.968 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 41.5 t80 -87.28 120.59 28.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.926 -0.579 . . . . 73.11 109.623 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.476 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.7 mm -112.32 96.92 5.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.31 -0.405 . . . . 75.24 110.54 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.8 146.01 16.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.378 -0.915 . . . . 71.32 111.638 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.96 14.72 38.71 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.754 -0.736 . . . . 72.23 112.797 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -86.65 165.76 15.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.791 0.296 . . . . 74.11 110.688 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -79.08 172.81 13.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 61.13 111.132 -173.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -82.54 -2.38 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.557 0.694 . . . . 64.41 109.563 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -98.23 -7.11 29.87 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.099 -0.955 . . . . 73.42 109.104 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.663 ' HB ' HD13 ' A' ' 21' ' ' LEU . 50.1 m -77.21 93.8 4.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.385 -0.825 . . . . 65.02 110.324 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.8 t -95.52 168.81 10.46 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.907 -0.588 . . . . 74.34 109.591 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.528 ' HA ' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -41.48 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 74.34 111.329 -172.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.2 pt-20 -64.91 -39.15 93.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 72.23 110.852 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -70.47 -37.47 74.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 64.44 109.958 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 45' ' ' VAL . 29.6 tp -65.14 -54.01 36.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.462 -0.79 . . . . 71.43 110.432 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 4.6 ptp180 -60.59 -38.0 83.2 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.421 -0.354 . . . . 74.34 110.192 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.3 m -61.19 -39.42 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 72.22 111.186 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.4 m170 -84.5 -4.97 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.838 0.31 . . . . 75.52 111.838 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' CE2' HG21 ' A' ' 79' ' ' VAL . 41.9 m-85 -111.57 -17.65 13.0 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.609 -0.436 . . . . 74.12 111.882 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 57.7 mt-10 -75.78 4.05 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.48 . . . . 73.41 110.419 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 62.6 mt-30 -75.2 -43.82 49.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.972 -0.558 . . . . 73.34 110.976 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 26.2 m-90 -99.82 5.2 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 74.14 111.244 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.547 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 174.77 -179.13 46.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.082 -1.056 . . . . 72.21 113.275 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -101.24 124.24 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.365 0.266 . . . . 73.23 110.91 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD22 HG23 ' A' ' 60' ' ' VAL . 8.5 mt -90.75 111.38 22.73 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.304 -0.558 . . . . 71.13 110.14 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -76.51 -24.48 53.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.663 0.744 . . . . 65.23 109.146 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.69 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 17.0 t70 -144.43 146.41 32.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.606 -1.179 . . . . 70.23 109.131 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.0 t -169.84 141.71 2.3 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.213 -0.662 . . . . 54.0 109.213 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.6 p -169.53 148.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.883 -0.414 . . . . 42.01 109.883 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 27' ' ' ASP . 27.8 m -106.74 157.28 7.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.935 -0.395 . . . . 74.35 109.935 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.514 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 21.9 mmt . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 108.468 -0.938 . . . . 65.23 108.468 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 120.902 0.382 . . . . 71.43 110.759 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.76 7.4 88.61 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.558 -0.83 . . . . 71.13 112.398 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 19.3 p90 -159.33 160.23 34.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.239 0.542 . . . . 74.33 111.549 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.45 -175.13 29.03 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.321 -0.854 . . . . 70.31 111.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -135.72 153.61 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.597 0.713 . . . . 75.32 111.78 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.646 HG13 ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -150.05 116.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 75.21 108.934 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.69 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.3 m -104.95 115.35 30.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.697 -0.483 . . . . 62.11 109.697 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -75.67 -178.66 4.29 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.88 0.372 . . . . 72.41 110.677 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.62 -36.96 28.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.087 -0.708 . . . . 64.01 109.087 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.5 t -144.87 154.44 42.63 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.416 -0.811 . . . . 71.32 110.619 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.54 -29.36 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.826 0.676 . . . . 70.25 112.826 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.16 -20.08 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 70.13 111.345 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 64' ' ' THR . 25.0 mt-10 -83.23 -38.63 21.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.426 -0.583 . . . . 73.42 109.426 175.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG13 HD13 ' A' ' 16' ' ' LEU . 24.7 t -56.98 -52.32 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.329 -0.85 . . . . 63.33 110.282 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -63.57 -33.25 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.772 -0.649 . . . . 61.21 110.948 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.6 98.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 52.32 110.394 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.72 78.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 71.34 110.172 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.1 mtt -69.13 -33.73 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.576 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.2 -13.02 61.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.955 0.407 . . . . 63.1 110.694 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.41 16.45 18.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 74.35 111.293 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 8.3 ptm180 -79.3 150.5 74.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 75.11 110.296 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.6 Cg_exo -69.82 123.88 7.2 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.729 -1.363 . . . . 74.22 112.265 0.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.47 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -71.64 149.89 45.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 75.0 110.253 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 112.0 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.706 0.289 . . . . 64.51 110.724 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 34' ' ' PHE . 89.9 t -123.01 122.64 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.431 . . . . 72.32 109.96 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 30.9 t70 60.84 31.18 20.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.536 0.684 . . . . 35.12 110.314 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.37 23.34 77.52 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.601 -0.809 . . . . 75.42 111.752 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -122.53 128.33 50.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.969 -0.382 . . . . 63.24 109.969 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.66 106.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.871 -0.418 . . . . 73.21 109.871 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.8 m -100.24 169.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.819 0.342 . . . . 74.41 110.661 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -125.09 104.76 29.25 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 116.182 -0.463 . . . . 75.25 109.806 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HB2' HD21 ' A' ' 16' ' ' LEU . 42.0 Cg_endo -91.56 113.48 0.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.546 2.831 . . . . 52.11 112.84 -177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -123.7 161.26 25.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 74.14 110.916 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.46 126.9 28.92 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.915 -0.402 . . . . 71.11 109.915 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -71.81 154.7 41.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.219 0.533 . . . . 71.42 112.009 -176.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.534 -0.757 . . . . 63.33 109.385 177.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 110.053 -0.351 . . . . 74.13 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 1.2 tt0 -56.26 -47.76 77.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.67 . . . . 72.23 111.887 175.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.4 -18.17 55.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 71.42 111.847 -172.726 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' HG3' HD23 ' A' ' 13' ' ' LEU . 74.6 mtm180 -95.06 -15.23 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 72.41 110.731 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 2.8 ttmp? -81.2 129.89 34.78 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.26 0.553 . . . . 45.21 111.365 175.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HE2' ' A' ' 62' ' ' TYR . 7.8 mt -92.93 131.16 38.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.583 -0.735 . . . . 72.13 110.656 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -89.97 113.49 25.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.965 -0.754 . . . . 73.1 108.965 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.9 mm -108.77 97.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.253 -0.43 . . . . 73.54 110.251 -176.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.38 146.02 16.42 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.296 -0.954 . . . . 71.34 112.045 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.11 32.85 11.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.792 -0.718 . . . . 75.41 112.445 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 pp -97.67 175.38 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.061 0.457 . . . . 63.33 111.293 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.6 t -74.11 155.28 38.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.63 -0.714 . . . . 65.24 110.828 -175.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.2 -2.78 39.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.109 0.48 . . . . 70.01 110.004 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.14 -9.9 27.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.348 -0.612 . . . . 71.33 109.348 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 45.6 m -70.94 92.56 0.93 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.506 -0.77 . . . . 65.11 110.6 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -93.15 172.34 8.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 72.35 110.212 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 17.4 t70 -51.23 -56.18 14.22 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.016 0.526 . . . . 74.44 111.772 -174.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.09 -37.22 79.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 75.24 111.06 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -70.81 -36.7 73.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.184 0.516 . . . . 72.35 109.693 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 HG12 ' A' ' 45' ' ' VAL . 45.3 tp -66.63 -52.36 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 65.25 110.143 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 16.0 ptt180 -63.83 -37.42 87.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.506 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -61.5 -36.91 81.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 74.35 111.193 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.416 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 63.6 m80 -81.26 -12.52 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 70.43 111.322 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 39.1 m-85 -106.25 -14.86 15.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.219 0.451 . . . . 75.31 112.219 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.1 mt-10 -67.93 -1.26 5.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.063 0.459 . . . . 75.44 111.167 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -83.58 -20.8 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.117 -0.492 . . . . 75.23 112.042 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -116.86 12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.902 0.382 . . . . 72.1 110.207 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 160.5 -168.64 36.06 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.996 -1.097 . . . . 70.42 113.77 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -107.18 127.49 53.56 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.898 0.479 . . . . 54.0 110.759 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.614 ' HG ' ' CG2' ' A' ' 60' ' ' VAL . 1.1 mm? -91.84 113.32 25.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.862 -0.735 . . . . 72.34 111.538 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -85.51 -21.15 28.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.14 -0.936 . . . . 73.44 110.65 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 37.1 t70 -149.18 90.94 1.79 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 74.24 111.183 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.9 p -110.4 145.81 36.93 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.696 -0.483 . . . . 64.32 109.696 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 7.6 p -169.08 137.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 74.15 110.952 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 30' ' ' LEU . 34.6 m -110.56 148.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.134 0.493 . . . . 63.5 110.697 175.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.387 -0.824 . . . . 74.33 109.886 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 . . . . . 0 C--O 1.231 0.089 0 N-CA-C 111.629 0.233 . . . . 73.15 111.629 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.09 58.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.362 -0.923 . . . . 72.21 112.222 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -162.95 166.68 23.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 74.22 110.174 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.58 -178.97 39.54 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.823 -0.911 . . . . 73.12 110.823 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 97.1 m-85 -126.63 148.54 49.79 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.3 0.571 . . . . 65.45 110.708 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.614 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 13.0 p -144.26 100.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 122.114 0.959 . . . . 75.14 110.112 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 9.4 m -94.56 125.26 39.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 61.44 110.167 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.495 ' HE2' HD12 ' A' ' 16' ' ' LEU . 51.1 m-85 -86.42 177.57 7.39 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.874 0.369 . . . . 75.32 110.823 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.58 -35.86 60.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.491 0.663 . . . . 54.32 109.688 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 7.8 t -143.61 155.79 44.38 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.149 -0.932 . . . . 42.41 109.815 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.13 -29.52 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.809 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.59 -35.57 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 74.03 111.511 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.3 mt-10 -76.66 -37.5 56.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.086 0.469 . . . . 62.23 110.095 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 72' ' ' MET . 37.7 t -58.93 -52.2 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.711 -0.677 . . . . 71.12 110.593 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.53 74.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.584 . . . . 72.34 110.63 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.41 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 75.42 110.541 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.13 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.44 110.28 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.0 mtt -66.82 -43.92 82.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 70.31 110.618 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -65.25 -24.19 67.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 62.21 110.793 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 7.11 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.79 -0.641 . . . . 52.22 112.059 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ptt-85 -66.98 149.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 65.34 110.309 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.57 129.74 17.95 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.528 -1.447 . . . . 75.32 113.017 2.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 20.1 t-80 -74.97 161.09 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.703 -0.68 . . . . 73.54 110.294 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -146.62 112.18 5.59 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.61 -0.515 . . . . 74.25 109.61 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -129.03 131.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.875 -0.417 . . . . 73.31 109.875 177.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 79' ' ' VAL . 19.0 t70 71.79 -57.17 0.62 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.173 0.921 . . . . 70.23 110.01 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.53 33.64 0.02 OUTLIER Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 108.808 -1.717 . . . . 62.01 108.808 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 12.8 tpp180 -132.25 128.46 37.9 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.434 -0.883 . . . . 73.15 110.285 -170.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.0 t -76.36 109.37 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.316 -0.624 . . . . 65.4 109.316 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 21' ' ' LEU . 28.5 m -104.81 174.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.861 -0.609 . . . . 71.03 111.191 -175.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.36 101.97 30.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.873 -0.603 . . . . 65.12 109.659 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.07 115.11 0.43 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.33 2.687 . . . . 43.14 112.674 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -128.54 160.11 33.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 64.23 110.307 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.44 126.7 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.077 -0.342 . . . . 63.1 110.077 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 12' ' ' GLN . . . -65.33 144.07 57.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.912 0.386 . . . . 75.25 111.21 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.29 -0.633 . . . . 72.32 109.29 175.808 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.724 0.297 . . . . 71.12 110.818 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.16 -37.04 86.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.056 -0.52 . . . . 64.13 110.72 -175.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.24 -18.69 48.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.055 0.455 . . . . 63.24 110.87 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HG3' HH11 ' A' ' 14' ' ' ARG . 23.8 mtt85 -93.24 -5.67 49.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.152 0.501 . . . . 74.12 109.918 173.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 25.2 ttmm -93.27 136.46 33.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.346 -0.843 . . . . 75.15 109.874 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.673 HD13 HG13 ' A' ' 68' ' ' VAL . 9.2 tp -103.25 126.42 50.41 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.511 -0.768 . . . . 75.31 109.993 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -87.0 109.88 19.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.956 -0.757 . . . . 52.02 108.956 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.493 HG21 HD21 ' A' ' 30' ' ' LEU . 10.8 mm -102.35 95.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.326 -0.397 . . . . 45.33 110.105 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.67 147.78 18.02 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.026 -1.083 . . . . 52.14 111.684 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.0 19.66 23.42 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.819 -0.705 . . . . 70.13 112.722 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.2 pp -94.1 167.48 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.903 0.352 . . . . 72.42 110.843 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -78.63 174.82 10.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 72.43 111.553 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -82.64 -10.89 58.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.902 -0.59 . . . . 74.51 110.879 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -96.68 -9.91 28.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.143 0.497 . . . . 74.31 109.923 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' HD13 ' A' ' 21' ' ' LEU . 77.9 m -68.77 94.54 0.61 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.381 -0.827 . . . . 53.13 110.861 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -93.29 167.42 11.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.6 -0.727 . . . . 62.23 109.833 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -38.9 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.663 0.268 . . . . 62.41 110.998 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.08 -35.87 82.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.162 -0.472 . . . . 62.13 111.048 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -74.6 -42.69 58.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.534 0.683 . . . . 64.14 109.408 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 18' ' ' ILE . 2.7 tm? -64.95 -50.39 66.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.758 -1.11 . . . . 73.51 109.858 -173.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 13.8 ptt180 -66.31 -36.13 82.15 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.966 -0.561 . . . . 74.02 110.165 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.06 -40.33 90.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.639 0.257 . . . . 71.11 110.589 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -70.46 -28.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 75.43 110.724 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -91.48 -15.58 28.59 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.227 -0.296 . . . . 53.5 111.663 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 32.0 mt-10 -72.17 1.38 7.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.213 0.53 . . . . 74.32 110.671 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.79 -26.5 24.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.697 -0.683 . . . . 73.34 111.957 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -112.03 10.96 20.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.188 0.518 . . . . 65.3 110.191 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.13 179.67 39.17 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.546 -0.835 . . . . 35.44 112.986 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -102.12 123.31 45.76 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.243 0.217 . . . . 64.13 111.022 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.4 mm? -86.29 116.28 24.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.133 -0.627 . . . . 40.24 109.948 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 p -82.64 -20.34 36.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.231 -0.895 . . . . 75.32 109.315 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 32.1 t70 -142.39 134.46 27.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.905 -1.043 . . . . 72.24 109.348 174.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.9 p -148.54 131.53 16.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.625 0.25 . . . . 73.41 110.559 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.76 150.26 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.363 -0.381 . . . . 73.14 111.109 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.35 151.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 74.11 110.017 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 121.733 0.778 . . . . 63.34 111.634 -175.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 14.9 mtm180 . . . . . 0 CA--C 1.526 0.048 0 N-CA-C 111.971 0.36 . . . . 72.0 111.971 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 24.35 64.18 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.662 -0.78 . . . . 64.11 113.895 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 26.8 p90 -164.76 164.43 21.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.997 0.398 . . . . 72.31 110.674 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.12 -170.26 27.74 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.95 -0.568 . . . . 52.23 112.011 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -136.44 155.13 50.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 72.04 111.326 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -151.0 114.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 73.24 110.589 176.158 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 46.3 m -93.44 121.17 34.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.446 -0.576 . . . . 43.41 109.446 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.56 178.16 8.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.674 0.273 . . . . 64.42 110.458 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -32.99 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.457 0.646 . . . . 51.22 109.803 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 t -149.24 156.43 42.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.478 -0.783 . . . . 73.22 110.214 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 m -55.06 -29.91 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 75.1 112.393 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.45 -35.84 68.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.172 0.51 . . . . 72.5 110.956 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.614 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.4 mt-10 -76.87 -40.17 48.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.543 -0.753 . . . . 73.33 110.561 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG13 HD13 ' A' ' 16' ' ' LEU . 50.1 t -56.56 -51.07 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.874 -0.603 . . . . 75.21 110.584 177.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.63 -34.82 76.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 73.33 110.9 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 73.22 110.464 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.88 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.9 -0.591 . . . . 60.32 110.574 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 30.2 mtt -68.92 -40.31 79.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 71.04 110.6 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -66.86 -20.28 65.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.932 0.396 . . . . 63.1 110.822 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.12 14.11 8.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.438 0.533 . . . . 72.52 112.438 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 5.3 ptp85 -77.14 153.59 82.38 Favored Pre-proline 0 C--N 1.328 -0.358 0 C-N-CA 121.099 -0.24 . . . . 72.31 110.805 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 35.7 Cg_endo -65.71 126.74 6.81 Favored 'Cis proline' 0 C--O 1.236 0.39 0 C-N-CA 123.423 -1.49 . . . . 75.4 112.456 -0.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 28.0 t-80 -74.8 149.77 39.55 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 72.34 109.571 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -133.9 114.86 13.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.44 -0.345 . . . . 64.41 110.344 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.23 119.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.821 -0.627 . . . . 71.53 110.119 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.22 36.02 25.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.64 -0.709 . . . . 54.22 111.363 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 2.99 88.52 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.704 -0.68 . . . . 74.12 112.928 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.672 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 22.5 tpp180 -108.8 137.65 46.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.778 0.323 . . . . 72.1 110.938 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 60.9 t -89.64 125.45 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.263 -0.643 . . . . 71.12 109.263 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.28 171.64 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 74.51 111.528 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.71 102.74 46.95 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.365 -0.834 . . . . 74.41 108.981 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.1 Cg_endo -83.06 115.1 2.3 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.483 2.122 . . . . 75.15 111.602 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' HD12 ' A' ' 16' ' ' LEU . 14.8 mtpp -119.43 150.35 40.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.392 -0.822 . . . . 72.23 110.519 -172.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 122.5 17.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.108 -0.701 . . . . 73.54 109.108 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.89 142.96 38.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.639 0.733 . . . . 73.21 111.841 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.397 -0.964 . . . . 71.42 108.397 169.083 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.598 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 26.9 tt0 . . . . . 0 C--O 1.22 -0.477 0 N-CA-C 109.937 -0.394 . . . . 65.3 109.937 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -65.86 -53.73 35.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 73.44 111.037 176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 pp -90.89 -13.41 33.68 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.678 -0.409 . . . . 64.01 111.83 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -92.26 -9.38 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.885 -0.326 . . . . 75.44 110.405 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 22.5 ttmm -88.04 136.4 32.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.609 . . . . 50.14 110.679 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD13 HG13 ' A' ' 68' ' ' VAL . 8.1 tp -101.52 123.62 45.86 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.128 -0.942 . . . . 71.13 109.561 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -86.38 112.94 21.93 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.06 -0.719 . . . . 72.41 109.06 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.26 101.24 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.007 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.14 142.98 17.39 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.942 -1.123 . . . . 64.43 112.397 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.1 34.46 8.18 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.032 -0.604 . . . . 74.12 112.574 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.618 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.0 pp -98.53 174.5 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 63.35 111.185 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -75.73 167.9 21.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 75.21 111.492 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -85.7 -1.33 57.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.6 0.714 . . . . 74.54 109.642 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.41 -9.5 32.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.82 -1.082 . . . . 63.14 109.441 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.618 ' HB ' HD13 ' A' ' 21' ' ' LEU . 55.5 m -76.82 104.14 7.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.195 -0.911 . . . . 73.22 111.386 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -107.33 169.61 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.618 -0.719 . . . . 70.21 110.235 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.6 t70 -52.02 -48.48 64.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.055 0.542 . . . . 72.33 111.809 -174.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.16 -37.71 88.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.079 -0.509 . . . . 73.42 111.48 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -78.27 -32.31 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.045 -0.354 . . . . 72.34 110.045 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 45' ' ' VAL . 20.8 tp -66.1 -48.31 71.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.611 -0.514 . . . . 63.44 109.611 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.7 ptm180 -65.25 -39.56 92.83 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.786 -0.643 . . . . 73.03 110.293 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -62.17 -38.83 90.57 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.884 -0.326 . . . . 64.03 110.928 -176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -74.6 -39.13 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 74.22 111.137 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.3 m-85 -85.54 -19.86 30.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.611 0.597 . . . . 71.23 112.611 -175.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mt-10 -78.47 10.26 3.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.277 0.56 . . . . 74.41 110.61 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.13 -25.89 31.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.587 -0.733 . . . . 74.15 111.245 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -113.13 12.21 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 75.1 110.505 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.94 -170.14 40.55 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.218 -0.991 . . . . 60.44 113.152 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 52.4 m -108.39 123.1 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.428 0.291 . . . . 51.0 110.776 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.735 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.2 mt -92.59 108.06 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.539 . . . . 71.34 110.367 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.8 p -80.32 -16.22 55.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 54.43 110.369 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.2 t70 -151.47 105.3 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.355 -0.839 . . . . 61.05 110.571 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.51 143.81 47.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.613 -0.435 . . . . 55.43 110.108 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -163.56 146.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 63.42 110.36 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG12 HD22 ' A' ' 30' ' ' LEU . 34.0 m -124.37 156.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.023 0.44 . . . . 72.54 110.576 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.609 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 17.1 mmt . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 108.974 -0.751 . . . . 63.22 108.974 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 71.2 mtp180 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.485 . . . . 72.42 110.366 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.64 10.51 65.16 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.734 -0.746 . . . . 45.14 112.756 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 18.4 p90 -158.95 160.05 35.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.365 0.602 . . . . 71.03 111.74 176.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.43 -178.45 31.5 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.196 -0.911 . . . . 72.45 111.267 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.494 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.8 m-85 -135.89 148.51 48.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.221 0.534 . . . . 74.41 111.248 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.735 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -148.31 109.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.203 -0.908 . . . . 73.24 110.685 -177.761 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -95.87 115.28 27.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.713 -0.676 . . . . 71.31 109.616 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 39' ' ' THR . 57.5 m-85 -77.86 176.19 9.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.818 0.342 . . . . 71.3 111.03 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.24 -37.03 58.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.435 0.636 . . . . 72.14 109.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.6 t -143.54 160.21 41.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.196 -0.911 . . . . 74.31 109.619 175.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.73 -17.83 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 75.4 111.22 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 73.45 110.153 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.6 mt-10 -77.1 -38.12 52.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.667 -0.697 . . . . 70.13 109.693 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.697 HG13 HD13 ' A' ' 16' ' ' LEU . 20.0 t -54.83 -49.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.379 -0.828 . . . . 60.44 110.4 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.32 -40.83 87.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 71.02 110.933 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.22 96.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 73.32 110.7 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.85 82.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 63.21 110.58 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 36.7 mtt -66.18 -37.86 86.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.767 -0.651 . . . . 72.52 110.746 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.21 -4.1 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.979 -0.555 . . . . 72.15 110.531 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 12.04 33.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 70.21 110.647 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 15.0 ptt180 -76.02 152.09 84.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 65.32 110.359 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 17.4 Cg_exo -66.16 127.0 7.36 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.584 -1.423 . . . . 64.14 111.843 -1.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.479 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 26.4 t-80 -73.83 153.35 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.014 -0.539 . . . . 75.11 109.931 -177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -136.91 112.86 9.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.272 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.66 124.05 32.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 73.34 109.887 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 62.89 30.74 16.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.502 -0.772 . . . . 71.02 110.988 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.59 23.8 77.38 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.639 -0.709 . . . . 54.22 112.417 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -126.26 132.58 51.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.314 -0.254 . . . . 72.01 110.314 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 62.4 t -81.78 126.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.879 -0.415 . . . . 75.51 109.879 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 21' ' ' LEU . 32.6 m -120.89 173.82 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.166 -0.47 . . . . 23.44 111.391 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -115.1 113.49 43.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 74.51 109.468 171.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 16' ' ' LEU . 25.3 Cg_endo -91.72 103.59 0.23 Allowed 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 122.661 2.241 . . . . 71.42 111.028 173.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -117.12 154.83 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 72.1 110.546 -171.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 130.44 44.94 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.279 -0.637 . . . . 61.5 109.279 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 138.46 43.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.554 0.692 . . . . 74.33 112.35 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 74.51 108.612 174.465 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 pt-20 . . . . . 0 C--O 1.214 -0.793 0 N-CA-C 109.356 -0.609 . . . . 53.43 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.53 -59.43 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.714 -0.676 . . . . 74.02 110.962 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -3.93 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 73.23 110.761 -174.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -102.69 -6.93 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.65 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 20.5 ttmm -98.02 138.69 34.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 74.23 109.535 177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 5.2 mt -101.22 129.32 47.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.161 -0.927 . . . . 72.51 110.309 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -85.44 114.38 22.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 71.55 109.102 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mm -109.28 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.309 -0.405 . . . . 73.43 110.324 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -116.5 144.55 18.47 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 119.894 -1.146 . . . . 53.51 112.079 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.0 17.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.862 -0.685 . . . . 41.2 113.039 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -90.7 169.14 11.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.168 0.484 . . . . 74.24 110.77 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -74.52 172.06 12.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.225 0.536 . . . . 62.42 111.099 -173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -85.79 -2.15 57.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 73.44 109.759 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -99.77 -13.75 19.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 74.13 109.89 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.8 m -65.48 123.43 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 61.42 110.27 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.1 t -132.64 173.82 10.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.695 -0.483 . . . . 60.24 109.695 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -47.2 -47.63 24.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.837 0.455 . . . . 75.23 112.093 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 26' ' ' THR . 8.7 pt-20 -60.81 -45.17 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 54.22 111.767 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -79.71 -25.34 41.19 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.578 -0.449 . . . . 64.32 110.593 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.18 -56.19 14.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.364 -0.606 . . . . 53.13 109.364 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.4 ptm180 -71.17 -34.05 70.56 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.213 -0.595 . . . . 60.44 110.645 -176.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -65.76 -30.12 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.978 -0.289 . . . . 75.52 111.475 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.521 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 71.7 m80 -93.44 -9.17 39.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.822 -0.351 . . . . 61.4 111.215 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' HB2' HD21 ' A' ' 40' ' ' LEU . 29.6 m-85 -107.34 -23.17 12.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.054 0.391 . . . . 75.41 112.054 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.755 ' HG2' HD13 ' A' ' 40' ' ' LEU . 29.9 mt-10 -75.21 15.56 0.42 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.001 0.429 . . . . 75.52 111.335 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 34' ' ' PHE . 77.2 mt-30 -91.81 -21.96 20.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.121 -0.491 . . . . 72.33 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -115.77 13.55 16.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 65.42 110.167 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.35 -172.15 41.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.305 -0.95 . . . . 60.22 112.988 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 87.5 m -104.12 122.91 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.372 0.269 . . . . 61.5 110.408 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.9 mp -93.78 111.3 22.97 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.071 -0.652 . . . . 74.42 109.548 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -77.75 -25.45 49.2 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.826 -0.805 . . . . 73.11 108.826 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.647 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 27.7 t70 -141.0 141.68 34.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.531 -1.213 . . . . 74.33 109.901 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.3 p -153.02 142.24 21.49 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.156 -0.683 . . . . 73.12 109.156 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -163.58 140.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.037 0.446 . . . . 64.14 111.476 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -108.96 137.73 39.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.751 -0.833 . . . . 75.41 108.751 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 120.937 0.398 . . . . 73.22 111.099 -176.703 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 . . . . . 0 N--CA 1.457 -0.078 0 N-CA-C 111.919 0.34 . . . . 73.21 111.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.64 19.65 78.97 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.789 -0.72 . . . . 51.24 113.257 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 10.4 p90 -163.53 164.74 24.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.932 0.366 . . . . 73.21 110.679 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.0 -166.14 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 116.056 -0.52 . . . . 61.11 111.805 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.436 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 69.0 m-85 -139.65 157.36 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.204 0.526 . . . . 72.32 111.095 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -147.04 123.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.45 -0.795 . . . . 61.12 110.65 -178.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.647 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.0 m -111.39 119.19 38.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.97 -0.382 . . . . 70.44 109.97 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 39' ' ' THR . 58.2 m-85 -86.3 172.81 10.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 74.5 110.859 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.15 67.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 64.32 109.906 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.511 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -147.91 161.0 42.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.449 -0.796 . . . . 75.31 110.113 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -63.27 -25.82 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 73.22 112.603 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.75 -19.15 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.852 -0.339 . . . . 73.31 111.465 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.3 mt-10 -79.47 -34.6 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 64.11 109.171 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 72' ' ' MET . 25.0 t -58.45 -45.4 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.331 -0.849 . . . . 63.1 109.457 171.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.6 -42.03 82.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.738 -0.664 . . . . 72.24 110.842 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.71 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 43.02 110.776 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.3 -32.02 68.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.001 0.429 . . . . 64.53 110.345 176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.692 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.8 mtt -72.28 -23.3 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.529 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -80.29 -19.03 47.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.402 0.62 . . . . 73.41 109.7 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.84 -8.94 55.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.305 -0.861 . . . . 75.12 111.692 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.696 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 35.2 ptt180 -78.39 149.34 75.37 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 110.123 -0.325 . . . . 64.13 110.123 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.696 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 32.3 Cg_exo -59.68 124.6 2.03 Favored 'Cis proline' 0 C--N 1.347 0.46 0 C-N-CA 123.609 -1.413 . . . . 75.05 112.761 2.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 18.9 t-80 -78.67 167.03 21.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.43 -0.804 . . . . 73.31 110.435 -172.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.8 tppt? -147.07 108.6 4.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 70.54 110.551 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -133.82 130.04 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.601 . . . . 72.35 109.771 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 63.66 18.74 11.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.759 0.79 . . . . 75.44 110.388 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 80.09 13.43 82.04 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.933 -0.651 . . . . 72.44 111.879 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -112.68 134.69 54.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.692 0.282 . . . . 64.4 110.299 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.1 t -81.58 120.65 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 51.54 109.951 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.2 m -118.27 166.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 72.5 111.304 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -110.33 107.76 58.51 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.896 -0.593 . . . . 72.31 110.135 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.88 103.72 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.289 2.659 . . . . 52.12 111.725 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -124.2 150.62 45.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 63.4 110.473 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -55.55 130.51 43.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.268 0.227 . . . . 55.03 110.891 -176.761 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.87 158.0 36.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.5 0.667 . . . . 70.01 111.862 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.022 -0.99 . . . . 74.22 109.047 179.031 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 121.258 0.551 . . . . 75.43 109.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.52 -61.96 1.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.737 -1.12 . . . . 73.12 112.361 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 -1.29 57.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.426 -0.51 . . . . 73.01 111.559 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -99.09 -14.52 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 75.35 110.399 173.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -89.28 140.52 29.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.424 0.631 . . . . 61.53 109.715 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.575 HD13 HG13 ' A' ' 68' ' ' VAL . 8.9 tp -109.94 130.32 55.54 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.354 -0.839 . . . . 72.21 109.474 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HB3' ' HG2' ' A' ' 87' ' ' LYS . 27.3 t80 -84.89 113.82 21.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.188 -0.671 . . . . 72.34 109.188 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.51 98.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.48 -0.327 . . . . 72.45 110.428 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.01 146.57 18.85 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.299 -0.953 . . . . 41.04 111.785 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.0 38.96 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.579 -0.82 . . . . 74.43 112.191 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.1 pp -111.33 169.53 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 74.4 110.413 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 p -82.07 169.77 16.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.266 -0.425 . . . . 62.13 110.981 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -81.48 0.1 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.847 0.832 . . . . 72.24 109.016 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.75 -10.21 25.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.17 -1.377 . . . . 73.1 109.061 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -76.21 97.18 4.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.992 -1.003 . . . . 73.01 110.019 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -94.31 166.3 12.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.252 -0.431 . . . . 65.14 110.165 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.636 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 16.1 t70 -49.68 -50.29 44.22 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.068 0.547 . . . . 73.33 111.897 -174.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.92 -37.82 88.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.051 -0.522 . . . . 75.31 111.446 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 m -70.92 -34.67 71.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.908 -0.404 . . . . 51.12 109.908 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD22 HG22 ' A' ' 45' ' ' VAL . 33.0 tp -61.01 -53.83 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 75.14 110.059 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 11.4 ptt85 -63.85 -37.92 89.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.008 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -64.88 -26.67 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.3 111.569 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.533 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 45.4 m80 -90.8 -10.08 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.328 . . . . 61.13 111.536 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' HB2' HD21 ' A' ' 40' ' ' LEU . 42.6 m-85 -112.81 -19.78 11.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.691 0.626 . . . . 74.41 112.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.575 ' HG2' HD13 ' A' ' 40' ' ' LEU . 52.2 mt-10 -73.59 2.59 7.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.103 0.478 . . . . 75.35 110.743 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 59.3 mt-30 -74.51 -39.3 62.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.769 -0.65 . . . . 74.4 111.348 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.533 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.8 m-90 -103.2 4.44 36.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.065 -176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.72 175.36 41.36 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.911 -1.138 . . . . 51.32 113.403 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 94.8 m -89.57 125.71 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.418 0.287 . . . . 73.23 111.055 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.688 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.0 mp -93.9 109.96 21.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.003 0.43 . . . . 73.25 110.327 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -78.35 -21.73 49.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.643 0.735 . . . . 63.44 109.209 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 36.1 t70 -144.71 140.65 28.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.917 -1.038 . . . . 74.13 109.525 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.75 132.56 13.22 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.978 -0.749 . . . . 50.03 108.978 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.636 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 p -161.16 129.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 74.34 112.175 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG23 ' HA ' ' A' ' 27' ' ' ASP . 88.7 t -96.64 141.36 15.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.912 -0.773 . . . . 73.23 108.912 171.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 23.7 mmt . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 74.35 108.817 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 47.0 mtp180 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 121.03 0.443 . . . . 63.12 110.608 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 5.46 75.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.612 -0.804 . . . . 44.45 112.447 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -162.95 164.01 25.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.049 0.452 . . . . 74.31 110.977 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.75 -173.94 28.88 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.764 -0.653 . . . . 72.33 111.579 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 80.9 m-85 -135.07 155.88 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.286 0.565 . . . . 75.53 111.282 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.5 p -147.75 129.71 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.23 -0.896 . . . . 65.31 110.037 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 28.2 m -118.36 121.62 40.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.558 -0.534 . . . . 72.31 109.558 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 69.6 m-85 -86.14 178.43 7.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.06 -0.518 . . . . 73.01 111.212 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.81 60.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 65.24 110.61 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 t -162.54 163.69 27.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.611 -0.722 . . . . 75.35 109.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.4 m -57.91 -27.05 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.348 0.499 . . . . 64.01 112.348 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.1 -42.31 99.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 74.23 111.017 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.4 mm-40 -63.09 -39.68 95.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.513 -0.767 . . . . 74.22 109.886 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG13 HD13 ' A' ' 16' ' ' LEU . 25.1 t -61.91 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.261 -0.881 . . . . 53.21 111.067 178.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.51 -49.2 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 64.44 110.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.19 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 75.24 111.573 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.45 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 53.35 110.897 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.3 mtt -70.53 -37.94 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.114 0.483 . . . . 64.32 110.326 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.3 -6.2 38.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.665 -0.698 . . . . 60.2 110.475 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.66 8.22 40.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.64 -0.709 . . . . 75.43 110.929 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 -66.61 140.47 96.47 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 64.24 110.022 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.7 127.33 14.1 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.972 -1.262 . . . . 72.25 112.259 0.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.706 -0.679 . . . . 75.15 110.249 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -139.65 110.22 6.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.597 -0.274 . . . . 72.13 110.545 -176.716 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 34' ' ' PHE . 98.4 t -121.84 121.38 64.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.567 -0.531 . . . . 70.32 109.567 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 64.26 23.6 13.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.794 0.807 . . . . 63.12 110.35 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.53 19.76 79.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.408 -0.901 . . . . 74.21 111.578 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -116.56 133.25 56.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 72.3 109.296 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.8 t -76.17 106.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 63.41 110.231 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.32 161.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.052 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 39.2 tt0 -117.63 113.05 38.54 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-O 120.864 0.364 . . . . 75.31 110.318 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HB2' HD21 ' A' ' 16' ' ' LEU . 20.0 Cg_endo -93.1 110.37 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 123.422 2.748 . . . . 74.22 112.279 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 17.0 ptpt -122.1 158.22 29.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.396 . . . . 72.31 110.219 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -61.21 122.88 16.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.177 -0.305 . . . . 62.41 110.177 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.49 45.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 70.31 111.579 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.483 -0.78 . . . . 73.02 109.602 172.644 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.893 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . . . . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.519 -0.178 . . . . 74.21 110.519 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m 71.58 110.74 0.06 Allowed 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.837 0.711 . . . . 62.24 111.564 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 41' ' ' THR . 17.2 tppt? -126.89 130.26 49.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.997 -0.547 . . . . 63.3 110.353 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.3 m -76.69 93.75 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.341 0.591 . . . . 61.0 109.664 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.7 tt0 -155.13 149.41 26.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.432 -0.804 . . . . 64.11 109.845 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 m -104.12 89.17 2.32 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.827 -0.805 . . . . 62.35 108.827 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 69.4 Cg_endo -76.18 124.78 8.1 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.336 2.024 . . . . 73.2 112.367 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.13 -32.76 50.54 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.189 -1.041 . . . . 70.22 108.189 174.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.862 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -83.59 138.45 41.14 Favored Pre-proline 0 N--CA 1.446 -0.642 0 CA-C-N 114.42 -1.264 . . . . 65.13 108.572 175.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 39.4 Cg_exo -60.52 134.3 53.89 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.444 2.096 . . . . 63.52 112.424 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -55.83 -46.32 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 73.12 109.906 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -58.62 -36.84 74.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.572 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.75 -27.18 40.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.931 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.862 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 52.5 mtm180 -90.09 -11.84 40.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.867 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 24.3 ttmm -89.38 137.96 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.38 0.609 . . . . 54.11 110.707 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 68' ' ' VAL . 8.4 tp -111.46 131.7 55.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.318 -0.855 . . . . 71.02 109.335 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.637 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 20.9 t80 -88.55 114.56 25.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.593 -0.521 . . . . 75.01 109.593 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -106.7 97.41 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.175 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA3' ' N1 ' ' B' ' 2' ' ' ' U' . . . -109.74 144.68 16.8 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.075 -1.059 . . . . 51.31 112.331 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.53 48.33 5.33 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.861 -0.685 . . . . 42.41 112.16 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -108.32 179.34 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 73.12 111.426 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.446 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 29.2 t -72.88 155.0 40.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 72.2 110.924 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -78.21 -4.42 47.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.157 0.503 . . . . 70.1 110.032 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -98.19 -8.23 27.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.581 -0.736 . . . . 64.23 109.503 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.685 ' HB ' HD13 ' A' ' 21' ' ' LEU . 47.4 m -75.65 101.11 4.85 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.547 -0.751 . . . . 64.13 111.139 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.9 t -110.36 -176.63 3.03 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.782 -0.821 . . . . 74.32 108.782 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.21 -53.1 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.61 0.364 . . . . 43.14 111.815 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.3 pt-20 -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 73.44 111.634 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -77.27 -30.26 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 70.05 109.933 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.23 -57.03 4.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.548 -0.751 . . . . 61.41 109.899 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 ptm180 -64.82 -36.0 82.9 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.723 -0.391 . . . . 72.44 110.751 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.2 t -62.29 -31.88 72.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.74 0.305 . . . . 74.31 111.115 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.7 m-70 -92.75 -6.38 49.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.527 -0.306 . . . . 75.12 111.496 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' A' ' 40' ' ' LEU . 27.5 m-85 -110.2 -22.21 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.806 -0.357 . . . . 71.23 111.9 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' HD13 ' A' ' 40' ' ' LEU . 59.3 mt-10 -73.46 17.72 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.075 0.464 . . . . 75.35 111.12 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 34' ' ' PHE . 80.4 mt-30 -97.8 -20.7 17.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 72.11 111.256 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.0 m-90 -115.76 14.62 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.283 0.563 . . . . 65.32 109.874 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.42 -169.95 38.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.459 -0.877 . . . . 72.01 112.895 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 42.1 m -106.79 124.49 49.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.423 0.289 . . . . 62.11 110.278 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 60' ' ' VAL . 1.8 mp -92.43 112.63 24.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.16 -0.616 . . . . 74.42 110.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 50.2 p -80.46 -28.6 37.61 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.44 -0.8 . . . . 41.44 109.857 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.4 t70 -143.11 99.03 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.632 -0.713 . . . . 73.31 110.278 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.6 p -113.2 133.1 55.23 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 109.027 -0.731 . . . . 74.41 109.027 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.893 ' HB ' ' HB2' ' A' ' 1' ' ' ALA . 5.1 p -158.9 121.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.4 0.619 . . . . 62.25 111.492 -177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.13 142.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.231 -0.655 . . . . 70.53 109.231 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.567 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 24.5 mmt -82.85 133.14 35.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.979 -0.378 . . . . 73.41 109.979 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -111.58 158.52 19.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.966 -0.383 . . . . 73.5 109.966 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.32 137.09 96.63 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.816 -0.629 . . . . 73.42 109.768 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.99 -14.31 43.19 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.435 2.09 . . . . 73.34 112.588 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -109.42 -55.14 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 73.44 110.3 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 p -78.9 -29.44 44.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.771 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 63.39 28.14 15.45 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.056 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -100.63 -76.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.901 -0.32 . . . . 73.5 111.315 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -152.83 164.1 38.49 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.809 -0.356 . . . . 62.54 111.41 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 42.3 mtp180 -123.82 4.33 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 70.24 111.161 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.649 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 79.98 15.21 79.48 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.798 -0.715 . . . . 63.32 113.378 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' HB3' H5'' ' B' ' 2' ' ' ' U' . 19.5 p90 -164.94 159.51 18.22 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.771 0.32 . . . . 75.33 110.487 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 -173.4 28.2 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.178 -0.534 . . . . 42.03 112.155 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' HE1' ' C2 ' ' B' ' 3' ' ' ' A' . 93.4 m-85 -131.29 154.74 48.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 75.11 111.068 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.657 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.4 p -148.79 116.49 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.46 -0.791 . . . . 72.4 110.626 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 38.1 m -107.22 125.25 50.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.949 -0.389 . . . . 72.51 109.949 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 60.0 m-85 -88.47 175.75 7.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.466 -0.334 . . . . 73.01 110.998 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -22.19 58.99 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.519 . . . . 42.23 110.553 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -159.59 162.97 35.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.4 -0.818 . . . . 61.15 110.026 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG23 HH21 ' A' ' 88' ' ' ARG . 3.5 p -60.61 -32.26 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 73.15 112.338 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.83 -15.75 62.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.686 0.279 . . . . 71.44 111.718 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HG3' HG23 ' A' ' 64' ' ' THR . 29.0 mt-10 -82.91 -37.29 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.531 -0.544 . . . . 63.01 109.531 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 16' ' ' LEU . 7.7 t -58.0 -43.82 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.636 -0.711 . . . . 63.51 109.495 171.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.44 -41.88 81.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.038 -0.983 . . . . 73.14 110.131 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.79 88.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.24 110.914 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.07 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.934 0.397 . . . . 73.22 110.378 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.8 mtt -68.16 -37.59 81.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 70.43 110.72 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.29 -17.02 63.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.018 0.437 . . . . 74.33 110.619 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.16 7.54 31.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.983 -0.553 . . . . 74.23 111.514 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 87.7 mtm180 -70.97 145.29 91.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.52 -0.309 . . . . 75.12 110.443 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.418 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.2 Cg_exo -70.99 126.08 10.05 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.693 -1.378 . . . . 73.24 111.901 -0.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.424 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 26.4 t-80 -69.98 158.99 34.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 60.22 110.615 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -141.82 112.55 7.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.776 -0.647 . . . . 62.22 110.036 -176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.47 127.79 54.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 73.12 110.204 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.9 t70 70.77 -5.22 1.5 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.688 -0.687 . . . . 75.51 111.092 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.44 8.64 30.5 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.311 -0.716 . . . . 62.04 111.311 -174.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 7.9 tpp180 -112.3 132.61 54.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.469 -0.366 . . . . 75.12 110.458 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.01 119.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.095 -0.705 . . . . 71.13 109.095 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -116.1 176.0 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.179 -175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -123.69 105.86 32.51 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 74.13 109.623 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HB2' HD21 ' A' ' 16' ' ' LEU . 28.0 Cg_endo -91.12 106.46 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.179 2.586 . . . . 70.14 112.531 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -111.68 160.22 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 73.24 110.49 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.566 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -63.57 131.01 46.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.15 -0.315 . . . . 75.02 110.15 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -65.95 122.67 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 64.02 111.109 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 91' ' ' SER . 9.2 p -83.09 170.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.168 -0.678 . . . . 62.04 109.168 176.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.579 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 1.5 m -70.53 140.3 51.78 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.443 -0.577 . . . . 73.41 109.443 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.647 ' HA ' ' N2 ' ' B' ' 4' ' ' ' G' . 1.8 ptm180 -72.61 -23.35 60.93 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.465 -0.494 . . . . 70.44 110.157 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.84 -19.49 60.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 63.11 110.215 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 91' ' ' SER . 9.6 t70 -70.95 -47.15 60.59 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.379 0.609 . . . . 72.02 109.635 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 p -79.51 -32.5 42.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.096 -0.956 . . . . 75.22 110.046 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 58.75 51.56 7.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.269 -0.878 . . . . 75.52 110.904 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.534 -0.757 . . . . 73.13 109.19 174.68 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.77 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 104.778 2.078 . 0.0 '__' . 75.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.77 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C4'-C3'-C2' 103.859 1.159 . 0.0 OUTLIER . 74.33 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.864 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-C2' 107.735 0.954 . 0.438 4b . 64.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.864 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 C1'-O4'-C4' 106.11 -3.878 OUTLIER-DELTA 0.0 OUTLIER gamma 72.02 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 1.055 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 P-O3'-C3' 121.151 1.209 . 0.0 OUTLIER gamma 72.32 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.055 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C4'-C3'-C2' 104.735 2.035 OUTLIER-EPSILON 0.0 OUTLIER . 74.15 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.779 " O5'" " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 P-O3'-C3' 121.773 1.728 . 0.0 OUTLIER epsilon-1 74.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.849 0.357 . . . . 64.24 110.705 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -103.36 -41.46 6.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 74.25 110.075 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.16 -70.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.882 -0.784 . . . . 73.5 108.882 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 m -165.35 -41.86 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.76 -1.109 . . . . 73.35 108.482 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.53 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 57.66 31.4 20.33 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.12 -0.945 . . . . 64.22 110.484 178.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.7 p -90.97 163.75 28.28 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.02 -0.991 . . . . 75.05 110.553 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HA ' HH22 ' A' ' 14' ' ' ARG . 4.5 Cg_exo -79.62 26.09 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.059 2.506 . . . . 51.34 111.859 174.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -72.11 -53.82 11.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 74.02 110.221 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.65 150.32 58.01 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 71.51 110.541 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.62 116.1 2.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.304 2.67 . . . . 72.3 112.987 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG3' HG21 ' A' ' 61' ' ' THR . 37.0 tt0 -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 75.43 110.477 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' OE1' ' HB2' ' A' ' 91' ' ' SER . 18.7 tt0 -56.43 -50.18 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.246 0.546 . . . . 75.13 110.975 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.67 -24.69 62.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.54 -0.755 . . . . 61.11 111.414 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.513 HH22 ' HA ' ' A' ' 7' ' ' PRO . 73.5 mtm180 -98.57 -7.81 27.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.616 0.246 . . . . 74.34 111.56 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.1 ttmm -89.59 136.33 33.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.382 0.61 . . . . 35.41 110.582 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.52 129.8 53.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.266 -0.879 . . . . 63.42 109.725 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 20.6 t80 -86.86 113.27 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.819 -0.628 . . . . 72.14 109.452 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.6 mm -109.1 97.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.109 -0.496 . . . . 60.01 110.584 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.93 148.81 18.74 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.051 -1.071 . . . . 55.22 112.42 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.89 11.55 49.6 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.027 -0.606 . . . . 50.3 112.698 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -81.41 163.68 22.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.563 0.221 . . . . 71.55 110.57 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -82.61 173.55 11.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.252 0.549 . . . . 63.13 111.435 -170.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 89.7 m-85 -81.93 2.36 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.582 0.706 . . . . 63.32 109.644 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.31 -14.86 24.98 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.003 -0.999 . . . . 71.54 108.9 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' HD13 ' A' ' 21' ' ' LEU . 27.4 m -72.56 130.03 39.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.162 -0.926 . . . . 74.12 110.425 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -133.14 163.04 30.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 73.12 109.908 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.74 -46.75 41.49 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 41.35 111.667 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.08 -44.26 92.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.446 . . . . 75.03 112.158 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 p -78.17 -28.88 48.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 75.11 110.287 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 45' ' ' VAL . 3.0 tm? -65.4 -45.62 83.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.275 -0.875 . . . . 75.24 108.984 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 6.5 ptp85 -71.96 -38.84 69.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 120.403 -0.519 . . . . 74.13 110.156 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.6 m -59.79 -38.29 81.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.7 0.286 . . . . 60.24 111.254 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -74.7 -35.95 62.72 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.832 -0.347 . . . . 72.25 111.523 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.7 m-85 -85.59 -17.66 35.57 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.145 -0.622 . . . . 73.21 112.35 -178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 23.6 mt-10 -79.01 14.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.472 . . . . 75.42 110.942 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.5 mt-30 -86.88 -32.05 20.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.062 -0.517 . . . . 71.11 110.722 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 25.5 m-90 -108.69 15.27 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.37 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 161.68 -169.23 37.08 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.233 -0.984 . . . . 65.12 113.385 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -112.82 124.87 53.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 62.11 111.185 -178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.6 mt -91.36 111.14 22.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.131 0.491 . . . . 74.34 110.466 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.7 p -81.98 -24.65 35.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 74.12 110.042 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -143.32 96.41 2.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.053 -0.976 . . . . 73.23 109.754 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.11 139.5 53.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.379 -0.373 . . . . 74.41 110.391 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.625 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 12.9 p -163.8 147.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.878 0.371 . . . . 73.14 111.359 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 ' HG ' ' A' ' 30' ' ' LEU . 60.3 t -119.77 139.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.065 -0.516 . . . . 71.33 110.04 174.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' H5'' ' B' ' 4' ' ' ' G' . 1.5 mpt? -90.05 141.8 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.284 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 53' ' ' ARG . 11.8 mmt180 -106.56 140.98 38.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.97 -0.752 . . . . 72.11 108.97 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.743 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 7.4 t70 -60.75 140.4 93.12 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 115.434 -0.803 . . . . 73.41 111.321 -173.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.0 -21.21 56.9 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.492 2.128 . . . . 72.32 111.927 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.86 -55.25 2.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 62.12 110.122 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 17.1 p -78.65 -33.98 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.469 -175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 62.82 28.49 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.998 -0.546 . . . . 72.45 110.445 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.558 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 9.7 mpt_? -117.28 -56.33 2.25 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.32 -0.4 . . . . 65.24 110.017 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 41.4 t -156.87 143.88 18.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.985 -0.552 . . . . 55.22 109.728 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.743 ' HG2' ' HA ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -86.32 -6.04 59.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.102 -0.499 . . . . 74.3 110.395 177.143 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.551 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 86.15 17.85 60.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.647 -0.787 . . . . 60.32 112.187 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.692 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 22.8 p90 -165.52 161.69 18.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.078 0.466 . . . . 62.3 111.017 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 178.61 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.816 -0.914 . . . . 64.42 110.816 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.7 m-85 -133.97 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 73.1 111.27 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -147.34 111.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.33 -0.85 . . . . 74.3 111.194 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 4.3 m -97.75 114.65 26.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.631 -0.713 . . . . 63.4 109.604 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -78.03 172.82 12.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.765 0.317 . . . . 64.32 111.151 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.99 57.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 72.42 109.965 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.3 t -154.69 156.38 36.32 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.496 -0.775 . . . . 64.2 110.678 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.25 -29.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 42.42 111.207 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.84 -35.56 64.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.226 0.536 . . . . 74.4 111.046 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.4 mt-10 -81.76 -33.89 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 74.15 110.439 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.562 HG13 HD13 ' A' ' 16' ' ' LEU . 40.5 t -59.95 -45.94 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.808 -0.633 . . . . 54.33 110.44 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -57.16 -46.0 83.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 73.31 110.506 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.57 90.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 61.14 111.199 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.34 90.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 52.34 111.253 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 45.6 mtt -66.77 -42.22 86.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.953 0.406 . . . . 73.51 110.616 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.69 -15.24 63.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 61.22 110.952 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 5.36 36.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 44.13 111.493 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 14.6 ptm180 -78.4 155.67 78.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.063 -0.347 . . . . 71.22 110.063 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 22.9 Cg_exo -63.93 123.79 3.55 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.7 -1.375 . . . . 70.55 112.37 1.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.511 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -78.11 154.56 31.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 64.31 110.625 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -133.26 114.22 13.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.197 -0.456 . . . . 61.21 110.057 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG21 ' CE2' ' A' ' 34' ' ' PHE . 79.7 t -121.79 127.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.285 . . . . 61.34 110.638 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.0 t70 67.18 -58.87 0.4 Allowed 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.32 1.012 . . . . 63.01 110.7 -175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.84 34.98 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.268 -1.533 . . . . 44.45 109.268 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -143.55 133.39 23.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.483 -0.859 . . . . 75.42 109.53 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.4 t -73.43 114.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.873 -0.417 . . . . 72.15 109.873 176.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -104.16 163.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.392 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -118.58 102.41 49.93 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 109.793 -0.447 . . . . 64.12 109.793 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -90.61 111.41 0.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 123.124 2.55 . . . . 74.51 112.667 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.56 165.04 19.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.709 . . . . 74.42 109.686 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.16 130.29 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.659 0.266 . . . . 73.41 110.47 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -80.39 131.81 35.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.127 0.489 . . . . 64.02 111.573 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -75.55 144.06 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.66 . . . . 73.45 109.43 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.44 ' HB2' ' OE1' ' A' ' 12' ' ' GLN . 45.7 t -52.07 135.14 31.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.69 0.281 . . . . 61.14 110.823 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -71.37 -12.81 61.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.578 0.704 . . . . 72.42 109.387 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.7 -27.61 33.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.876 -1.056 . . . . 64.33 109.761 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -90.38 -7.31 53.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 75.21 110.852 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 t -62.5 114.32 3.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.738 -0.664 . . . . 73.53 110.826 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -110.87 -0.19 16.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.478 -0.783 . . . . 62.35 109.579 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.412 -0.804 . . . . 62.11 110.48 -176.533 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.835 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 C4'-C3'-C2' 105.461 2.761 OUTLIER-DELTA 0.0 '__' . 73.32 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.835 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 104.627 1.927 . 0.0 OUTLIER . 71.11 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.738 " H2'" ' OP2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.729 0.949 . 0.0 OUTLIER gamma 75.04 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 1.04 " H4'" H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 C1'-O4'-C4' 106.949 -2.946 OUTLIER-DELTA 0.0 OUTLIER delta 75.22 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 1.04 H5'' " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 C4'-C3'-C2' 104.816 2.116 OUTLIER-DELTA 0.0 OUTLIER delta-1 73.5 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.697 " H4'" ' OP1' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-C2' 107.496 0.783 . 0.0 OUTLIER . 73.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.697 ' OP1' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C3'-C2'-C1' 102.841 1.49 . 0.0 OUTLIER alpha 73.24 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.35 -0.241 . . . . 75.34 110.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -79.07 -36.07 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.114 0.483 . . . . 64.13 109.799 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.84 152.18 19.57 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.298 -0.63 . . . . 74.44 109.298 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.6 m -113.84 14.73 18.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.453 -0.34 . . . . 74.45 110.784 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 4.9 mp0 51.73 80.87 0.08 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.655 -0.702 . . . . 54.22 111.151 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 21.0 m -130.72 62.65 66.34 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.368 -0.378 . . . . 64.12 111.203 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 6' ' ' SER . 96.4 Cg_endo -100.92 -155.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.317 2.678 . . . . 63.13 111.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.644 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -98.19 -32.88 11.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.109 0.48 . . . . 70.0 109.922 174.088 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 4.2 pt-20 -146.09 101.57 4.16 Favored Pre-proline 0 N--CA 1.447 -0.614 0 CA-C-N 115.726 -0.67 . . . . 71.3 110.249 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.54 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 4.3 Cg_exo -75.1 103.27 1.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.34 2.027 . . . . 51.13 110.657 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.3 tt0 -63.91 -38.49 91.28 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 110.256 -0.276 . . . . 64.03 110.256 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -54.5 -54.61 38.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.381 0.61 . . . . 75.55 111.248 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 6.6 tt -70.82 -23.57 62.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.42 -0.809 . . . . 72.33 111.777 -173.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 9' ' ' GLU . 46.2 mtm180 -99.17 -7.43 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.391 -0.368 . . . . 74.33 111.314 -178.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 22.0 ttmm -89.17 136.73 32.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.249 0.547 . . . . 61.35 110.498 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD13 HG13 ' A' ' 68' ' ' VAL . 8.2 tp -105.45 127.61 53.09 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.327 -0.852 . . . . 63.33 109.714 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.679 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 24.4 t80 -86.0 113.58 22.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.222 -0.658 . . . . 73.35 109.222 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mm -108.68 102.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.362 -0.381 . . . . 74.03 110.121 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' N1 ' ' B' ' 2' ' ' ' U' . . . -115.73 150.34 18.67 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 119.815 -1.184 . . . . 61.35 111.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.37 26.07 21.92 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.951 -0.642 . . . . 42.13 112.648 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -96.46 167.7 11.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 44.43 110.961 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m -72.46 166.68 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 64.22 111.063 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.602 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 91.5 m-85 -81.85 -7.07 59.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.553 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -93.93 -9.52 36.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 54.12 110.047 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.734 ' HB ' HD13 ' A' ' 21' ' ' LEU . 86.3 m -73.61 104.85 4.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.67 -0.695 . . . . 71.11 110.689 176.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.5 t -116.25 -177.3 3.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.827 -0.624 . . . . 62.43 109.388 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.39 -55.18 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.27 0.47 . . . . 63.14 112.27 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.57 -35.78 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 65.32 111.701 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 -13.93 41.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.576 -0.45 . . . . 54.42 111.214 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD22 HG12 ' A' ' 45' ' ' VAL . 24.8 tp -81.28 -51.03 8.82 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.487 -0.56 . . . . 74.2 109.487 173.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 8.3 ptt180 -63.75 -37.47 87.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.701 -0.681 . . . . 75.44 110.652 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -60.6 -34.14 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.12 111.167 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 44.8 m80 -89.66 -4.41 57.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.992 0.368 . . . . 72.32 111.992 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' HB2' HD11 ' A' ' 40' ' ' LEU . 42.0 m-85 -116.64 -16.06 10.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.274 0.472 . . . . 64.13 112.274 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 47.7 mt-10 -75.76 8.12 3.29 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.178 0.513 . . . . 74.13 110.647 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -84.07 -28.75 27.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.976 -0.556 . . . . 72.5 111.177 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -107.37 11.37 29.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 71.44 110.531 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 164.51 -159.18 32.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.26 -0.972 . . . . 71.44 113.252 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.5 m -115.24 121.74 43.86 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.529 0.331 . . . . 74.55 110.864 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.6 mt -91.66 100.51 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.191 0.52 . . . . 62.21 110.1 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.3 p -75.69 -21.4 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.984 -1.007 . . . . 75.4 110.204 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 30.4 t70 -143.31 103.65 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.368 -0.833 . . . . 64.5 110.091 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -112.17 145.7 39.38 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.626 -0.509 . . . . 41.31 109.626 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG21 ' N3 ' ' B' ' 5' ' ' ' G' . 10.9 p -168.02 141.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 53.41 110.985 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 26' ' ' THR . 34.9 m -122.41 151.28 26.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.41 -0.589 . . . . 65.12 109.41 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.596 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 22.2 mmt -88.79 135.91 33.28 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.097 -1.075 . . . . 72.1 108.097 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 7.1 mpt_? -110.01 153.27 24.82 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.487 -0.485 . . . . 72.43 111.134 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 8.7 t70 -64.84 140.59 98.12 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.521 -0.763 . . . . 65.11 109.744 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -26.42 81.82 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.362 2.041 . . . . 63.42 111.709 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -97.79 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 74.31 110.34 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 18.1 p -68.87 -32.74 72.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.683 -0.69 . . . . 73.44 110.78 -173.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 65.52 22.77 11.82 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 115.411 -0.813 . . . . 61.44 110.796 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -98.31 -76.01 0.54 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.676 0.275 . . . . 74.1 110.597 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.602 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 27.2 t -147.5 153.2 39.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.284 0.564 . . . . 61.4 110.774 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 35.9 mtp180 -100.49 9.21 42.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 71.24 110.446 175.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.53 10.6 70.19 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.468 -0.873 . . . . 42.34 112.823 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.0 158.98 20.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.773 0.321 . . . . 61.12 110.561 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.72 -173.09 25.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.213 -0.517 . . . . 45.01 112.338 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.2 m-85 -135.99 149.46 48.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.101 0.477 . . . . 70.34 111.041 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.15 112.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.564 -0.744 . . . . 72.44 110.787 -178.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.648 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -97.29 116.95 30.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 71.45 110.104 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' THR . 61.7 m-85 -79.18 174.28 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.334 -0.394 . . . . 73.15 110.944 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.63 61.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.298 0.57 . . . . 75.11 109.67 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.3 t -141.69 156.82 45.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.812 . . . . 73.13 110.073 179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' HD21 ' A' ' 13' ' ' LEU . 3.2 p -57.39 -28.72 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 53.03 111.65 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.12 -32.34 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 64.32 111.508 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.2 mt-10 -75.96 -38.2 57.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.124 0.488 . . . . 72.5 109.946 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 16' ' ' LEU . 42.2 t -56.34 -46.31 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.43 -0.804 . . . . 65.14 110.411 174.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.79 -47.75 73.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 75.55 111.037 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.6 97.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 63.3 111.2 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.64 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.242 -0.436 . . . . 63.32 110.754 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.728 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 mtt -69.54 -33.39 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.908 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -71.6 -17.66 62.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 73.43 110.762 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.19 22.39 3.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.856 -0.611 . . . . 61.31 112.273 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.728 ' HD2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -94.41 154.44 40.27 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.162 -0.31 . . . . 62.14 110.162 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 23.4 Cg_exo -64.65 125.18 4.84 Favored 'Cis proline' 0 C--O 1.236 0.403 0 C-N-CA 123.662 -1.391 . . . . 51.44 112.187 -0.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 22.8 t-80 -71.49 161.66 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.387 -0.824 . . . . 70.51 110.476 -174.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -142.36 110.46 5.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.098 0.475 . . . . 74.41 110.853 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.51 129.02 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 73.44 109.847 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.74 22.84 13.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.6 0.714 . . . . 74.53 110.246 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.66 8.63 87.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.838 -0.696 . . . . 73.22 112.172 -176.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -110.88 138.09 47.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.557 0.218 . . . . 72.45 110.719 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -85.46 123.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.24 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.528 HG11 ' HB3' ' A' ' 21' ' ' LEU . 26.2 m -118.08 168.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.052 -0.522 . . . . 75.45 111.147 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -113.23 105.35 55.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.581 . . . . 64.13 109.927 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.0 Cg_endo -89.7 106.94 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.914 2.409 . . . . 75.52 111.894 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -122.83 162.01 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.12 110.339 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -61.65 141.71 57.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.425 -0.352 . . . . 63.22 110.539 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.789 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -79.41 149.72 31.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.439 0.638 . . . . 65.24 111.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.09 156.39 7.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.076 -0.965 . . . . 43.44 108.438 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.473 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 74.8 m -61.79 132.83 54.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.377 -0.529 . . . . 73.32 110.483 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.478 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -67.69 -21.3 65.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.107 -0.701 . . . . 75.21 109.107 175.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.44 -42.74 99.68 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.019 -0.991 . . . . 70.51 110.18 172.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 21.4 m-20 -74.49 -43.59 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 52.4 110.364 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -120.07 85.04 2.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 73.04 110.546 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -90.13 -29.58 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.386 -0.598 . . . . 74.21 109.386 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.402 -0.809 . . . . 73.42 109.241 173.222 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.778 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 C3'-C2'-C1' 103.107 1.786 . 0.0 '__' . 72.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.679 " H1'" ' CE1' ' A' ' 17' ' ' PHE . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.913 1.081 . 0.0 OUTLIER gamma 73.33 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.789 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.922 1 C3'-C2'-C1' 97.81 -4.1 . 0.0 OUTLIER alpha 73.54 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.627 " H1'" ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C1'-O4'-C4' 106.936 -2.96 . 0.0 OUTLIER alpha 73.31 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.74 " H5'" " C5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 100.459 -1.156 . 0.0 OUTLIER alpha 71.31 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.845 " H4'" H5'' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C4'-C3'-C2' 103.736 1.036 . 0.0 OUTLIER gamma 74.13 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.845 H5'' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.612 0.866 . 0.0 OUTLIER . 64.24 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.272 -0.27 . . . . 72.2 110.272 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.59 72.14 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.419 0.628 . . . . 72.04 111.396 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -146.47 9.24 1.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.667 -0.864 . . . . 71.5 108.667 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 p -79.9 152.3 29.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 72.55 111.299 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -78.37 73.29 4.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.494 -0.558 . . . . 75.04 109.494 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 m -69.56 119.5 71.21 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 62.13 110.233 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.64 136.59 71.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.011 2.474 . . . . 54.32 111.905 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 3.2 mptp? -83.07 54.76 2.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.46 . . . . 73.44 111.506 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.65 126.82 43.89 Favored Pre-proline 0 N--CA 1.446 -0.646 0 N-CA-C 107.872 -1.158 . . . . 73.15 107.872 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' O ' HD23 ' A' ' 13' ' ' LEU . 46.7 Cg_exo -49.79 127.98 20.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.803 2.335 . . . . 75.23 113.26 -173.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.64 -17.45 64.61 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.183 -1.043 . . . . 72.45 108.183 170.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -48.98 -56.72 8.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.762 -1.108 . . . . 63.24 111.737 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -82.31 -8.59 59.64 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.486 -0.486 . . . . 72.33 110.684 -175.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -99.44 -1.06 39.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 74.03 110.202 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.5 ttmm -105.86 139.85 39.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 71.21 110.207 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.658 ' HG ' HG13 ' A' ' 68' ' ' VAL . 6.4 mt -101.47 130.88 47.81 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.603 -0.726 . . . . 71.51 110.599 175.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 24.9 t80 -91.55 118.56 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.597 -0.729 . . . . 72.32 109.438 176.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -109.48 98.45 7.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.287 -0.415 . . . . 54.24 110.328 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 146.02 17.23 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.193 -1.003 . . . . 32.1 112.283 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.6 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 88.05 37.59 7.73 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 72.12 112.412 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.8 pp -103.53 169.61 8.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 74.51 110.795 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -74.52 162.38 28.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.963 -0.562 . . . . 60.22 111.157 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 88.4 m-85 -83.85 8.7 14.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.361 0.6 . . . . 72.35 110.443 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -106.18 -7.83 17.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.324 -0.853 . . . . 65.11 109.496 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.564 ' HB ' HD13 ' A' ' 21' ' ' LEU . 25.2 m -70.27 118.16 12.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.496 -0.774 . . . . 60.22 110.29 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -119.55 163.87 16.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.311 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.26 -45.16 65.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.1 111.507 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.33 -38.73 92.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.599 . . . . 74.13 111.874 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -83.9 -28.18 28.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.542 . . . . 51.42 110.057 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 34' ' ' PHE . 3.0 tm? -64.03 -53.59 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.797 -0.816 . . . . 74.44 108.797 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.575 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 ptt180 -66.9 -35.78 80.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.026 -0.533 . . . . 75.4 110.103 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 t -64.39 -31.99 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.633 0.254 . . . . 64.42 111.132 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 43.9 m80 -91.26 -6.4 53.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.619 0.229 . . . . 73.44 111.619 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 36.9 m-85 -111.54 -21.54 11.7 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 62.44 112.052 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 50.2 mt-10 -72.17 8.15 1.42 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.178 0.513 . . . . 74.34 111.068 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 34' ' ' PHE . 71.6 mt-30 -84.91 -28.07 26.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.031 -0.531 . . . . 71.32 111.137 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.553 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.1 m-90 -108.9 8.02 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.908 -0.317 . . . . 74.52 110.645 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.99 -173.89 42.89 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 119.973 -1.108 . . . . 73.34 113.72 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 27.8 m -102.47 124.55 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.663 0.385 . . . . 72.34 110.618 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD22 HG23 ' A' ' 60' ' ' VAL . 11.1 mt -92.73 112.36 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.251 0.548 . . . . 42.4 111.108 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.41 -27.78 34.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.385 -0.825 . . . . 54.31 109.982 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.11 94.89 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.7 -0.682 . . . . 74.3 111.072 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.1 p -107.11 128.47 54.42 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.275 -0.639 . . . . 75.13 109.275 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.634 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.1 p -157.57 130.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 72.13 112.014 -175.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -107.31 130.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 64.11 110.089 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.55 ' HE1' ' C8 ' ' B' ' 5' ' ' ' G' . 22.7 mmt -80.77 141.82 34.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.612 -0.514 . . . . 64.14 109.612 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' HG2' ' A' ' 55' ' ' ARG . 8.2 mmt180 -114.08 154.86 27.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.582 -0.447 . . . . 63.22 110.738 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 12.6 t70 -65.14 136.08 96.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.652 -0.704 . . . . 72.55 109.106 174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.36 -17.92 61.33 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.235 1.957 . . . . 73.13 112.158 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.0 -58.31 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.06 -0.518 . . . . 64.35 110.432 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 16.6 p -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.0 110.769 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 11.4 mmmm 62.53 28.92 16.95 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.732 -0.667 . . . . 73.01 110.28 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 7.0 mpt_? -99.71 -69.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 71.14 110.536 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.737 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 38.8 t -162.69 160.56 25.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.751 -0.658 . . . . 64.01 109.496 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 47' ' ' ARG . 42.5 mmm-85 -100.77 -2.55 32.08 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.017 -0.538 . . . . 73.41 110.275 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.508 ' HA3' " O2'" ' B' ' 1' ' ' ' U' . . . 85.82 13.71 69.01 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.757 -0.656 . . . . 72.21 111.785 -177.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.725 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 11.4 p90 -162.08 159.38 26.11 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 63.24 111.008 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.91 177.88 30.33 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.2 -0.909 . . . . 53.04 111.018 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HE1' ' C2 ' ' B' ' 3' ' ' ' A' . 94.5 m-85 -128.85 149.99 50.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.48 0.657 . . . . 74.24 111.226 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -144.71 103.64 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.782 -1.099 . . . . 74.51 109.747 -176.47 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -98.26 119.71 37.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.511 -0.768 . . . . 74.14 109.651 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.448 ' HE2' HD12 ' A' ' 16' ' ' LEU . 59.5 m-85 -87.19 175.52 8.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.804 0.335 . . . . 73.23 110.628 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.88 65.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 54.44 109.907 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -138.92 162.22 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.462 -0.79 . . . . 75.44 110.034 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.8 -30.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.327 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.13 -38.52 73.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 52.25 111.454 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -72.64 -36.42 68.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 65.55 110.29 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.658 HG13 ' HG ' ' A' ' 16' ' ' LEU . 25.2 t -59.91 -49.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 72.43 110.303 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.31 -36.1 77.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 74.04 110.938 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.24 91.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 63.51 110.56 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 74.23 110.473 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.637 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 34.2 mtt -68.94 -42.31 76.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.068 -0.515 . . . . 61.32 110.449 177.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -66.67 -15.51 63.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 45.31 110.451 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 1.35 56.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.761 -0.654 . . . . 64.34 111.721 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.656 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 36.7 ptt180 -82.46 154.11 68.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.106 -0.331 . . . . 61.53 110.106 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.656 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 39.5 Cg_exo -59.58 128.42 3.98 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.455 -1.477 . . . . 75.44 112.687 0.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.493 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 28.2 t-80 -80.53 165.72 21.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.257 -0.883 . . . . 62.34 110.347 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -142.46 110.7 6.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.373 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.08 129.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 75.11 109.655 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 67.46 18.32 10.07 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.617 0.723 . . . . 71.21 110.156 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.89 6.44 89.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.993 -0.623 . . . . 42.13 111.673 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 21.5 tpp180 -103.87 127.45 51.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 75.12 110.131 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 69.3 t -77.46 108.0 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.686 -0.487 . . . . 74.14 109.686 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -106.41 173.28 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.122 -0.49 . . . . 71.15 111.071 -176.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.44 107.16 23.82 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.875 -0.602 . . . . 72.32 110.022 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -89.77 120.48 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.111 2.54 . . . . 75.51 112.258 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -128.49 158.99 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.051 -0.522 . . . . 63.3 110.505 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.38 124.17 19.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.703 -0.48 . . . . 71.53 109.703 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.726 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -71.34 159.18 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.177 0.513 . . . . 64.04 111.7 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -109.57 142.72 21.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.016 -0.735 . . . . 44.2 109.016 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -64.97 140.99 58.92 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.454 -0.498 . . . . 75.4 110.168 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.486 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -68.9 -11.54 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.314 0.578 . . . . 75.31 109.761 176.061 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.35 -20.16 37.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.33 -0.85 . . . . 73.45 110.116 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.65 -15.62 14.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.8 . . . . 73.52 110.649 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.3 t -86.26 134.69 33.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.623 -0.717 . . . . 75.51 110.672 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.58 -34.95 76.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 62.43 110.241 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' HD2' " H2'" ' B' ' 3' ' ' ' A' . 14.2 ptp180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.795 -0.621 . . . . 64.31 109.739 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 1.084 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.842 1.03 . 0.0 '__' . 71.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 1.084 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C4'-C3'-C2' 103.95 1.25 . 0.0 OUTLIER . 63.13 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.726 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 100.109 -1.545 . 0.228 0b . 75.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.554 " H1'" ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 C1'-O4'-C4' 106.343 -3.619 OUTLIER-DELTA 0.0 OUTLIER delta 74.42 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.903 " C5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 105.269 2.569 OUTLIER-DELTA 0.0 OUTLIER delta-1 73.43 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.903 H5'' " C5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C4'-C3'-C2' 103.494 0.794 . 0.0 OUTLIER '7D dist 5q' 70.12 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.439 ' OP2' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 100.764 -0.818 . 0.0 OUTLIER gamma 71.51 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.468 -0.197 . . . . 55.43 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 64.45 92.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.592 0.557 . . . . 52.41 111.438 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 118.85 20.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 71.45 110.379 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.7 m -75.45 108.64 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.249 -0.649 . . . . 73.53 109.249 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.3 98.64 0.34 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.916 -0.583 . . . . 72.52 111.502 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.821 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 20.2 m -72.93 -53.08 5.39 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.946 -0.57 . . . . 54.51 110.42 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 6' ' ' SER . 1.5 Cg_endo -82.65 91.31 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.226 1.951 . . . . 73.25 109.478 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -74.02 90.97 2.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.693 -0.685 . . . . 71.14 112.276 -167.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 44.0 mm-40 -76.11 128.99 81.77 Favored Pre-proline 0 C--N 1.313 -0.978 0 N-CA-C 108.054 -1.091 . . . . 75.22 108.054 165.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.61 ' HB2' HD22 ' A' ' 13' ' ' LEU . 64.4 Cg_exo -48.09 118.43 3.16 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.759 2.306 . . . . 75.01 112.69 -173.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.745 -0.661 . . . . 72.24 109.254 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -51.69 -57.87 7.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.117 -0.947 . . . . 73.45 112.02 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -84.42 -4.97 59.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.741 -0.384 . . . . 63.05 111.644 -171.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 9' ' ' GLU . 72.9 mtm180 -101.81 -10.88 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.911 0.386 . . . . 74.1 110.666 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.9 ttmm -91.74 134.96 34.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.251 0.548 . . . . 61.54 110.052 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 68' ' ' VAL . 9.5 tp -100.75 127.64 47.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 74.43 109.577 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.72 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 18.7 t80 -88.59 115.89 26.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.989 -0.55 . . . . 61.0 109.713 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 30' ' ' LEU . 9.1 mm -107.4 94.31 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.012 -0.54 . . . . 73.31 109.946 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.96 145.04 16.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.333 -0.937 . . . . 25.13 111.982 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.74 6.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.769 -0.729 . . . . 52.51 112.01 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -109.64 174.23 5.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.166 0.508 . . . . 71.11 111.53 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -66.99 151.88 46.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.223 -0.899 . . . . 65.23 111.197 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 69.0 m-85 -78.2 0.93 23.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.29 0.567 . . . . 74.02 109.901 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.41 -5.97 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.402 -0.817 . . . . 74.11 109.697 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.612 ' HB ' HD13 ' A' ' 21' ' ' LEU . 62.0 m -65.56 103.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 64.52 110.792 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -97.65 161.1 13.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.328 -0.851 . . . . 70.3 110.701 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG13 ' A' ' 45' ' ' VAL . 3.1 m-20 -46.31 -49.42 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.998 0.811 . . . . 72.1 111.505 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 29' ' ' SER . 7.5 pt-20 -64.29 -41.25 96.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 62.33 111.56 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.3 t -69.89 -35.89 74.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.146 0.498 . . . . 63.31 109.889 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 18' ' ' ILE . 3.6 tt -69.08 -50.25 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 50.23 109.468 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 ptm180 -62.9 -34.03 76.57 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.637 -0.425 . . . . 64.51 110.219 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.055 0.455 . . . . 52.44 110.412 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.597 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 59.0 m80 -83.6 -11.13 57.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.085 -0.507 . . . . 70.11 111.424 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 30' ' ' LEU . 32.3 m-85 -110.05 -14.93 14.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.406 0.521 . . . . 71.33 112.406 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 40' ' ' LEU . 27.9 mt-10 -75.85 15.58 0.51 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.348 0.594 . . . . 64.51 111.188 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.6 mt-30 -93.69 -36.08 12.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.808 -0.633 . . . . 61.03 110.649 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -101.25 11.26 39.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.964 -0.562 . . . . 53.45 110.221 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.575 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.3 -166.25 37.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.867 -0.683 . . . . 64.31 112.48 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -115.03 123.08 48.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.304 0.242 . . . . 62.54 110.825 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.2 mm? -85.49 116.05 23.57 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.981 -0.687 . . . . 53.01 109.788 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.6 p -83.63 -23.03 32.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.557 -0.747 . . . . 73.3 109.751 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.7 t70 -147.3 99.59 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.308 -0.86 . . . . 71.2 110.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 60' ' ' VAL . 12.6 t -113.66 141.01 47.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.727 -0.471 . . . . 74.21 109.727 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 " H1'" ' B' ' 5' ' ' ' G' . 10.5 p -162.01 140.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.392 -0.367 . . . . 64.41 111.045 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 27' ' ' ASP . 15.8 m -116.84 143.5 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.167 0.508 . . . . 73.51 110.345 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.704 ' HG2' H5'' ' B' ' 4' ' ' ' G' . 1.2 mpt? -90.68 137.55 32.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.763 -0.653 . . . . 74.22 110.721 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.08 150.5 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.682 -0.69 . . . . 71.33 109.594 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 12.6 t70 -57.56 139.22 81.36 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 73.52 110.348 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.48 -17.12 53.03 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.21 1.94 . . . . 72.05 112.509 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.47 -53.15 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.22 0.533 . . . . 62.41 110.221 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 25.1 p -83.63 -26.5 29.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 61.41 111.239 -175.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 66.0 21.5 11.29 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.473 -0.785 . . . . 60.1 111.487 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.05 158.38 16.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 60.3 108.733 175.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 21.9 m -51.69 128.35 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.004 0.431 . . . . 60.34 110.738 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -63.2 -39.67 95.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.788 -0.642 . . . . 63.15 111.5 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.469 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 132.42 7.33 2.81 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.161 -0.775 . . . . 65.1 111.161 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.652 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 25.6 p90 -155.19 162.21 41.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.944 0.402 . . . . 64.32 110.826 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.07 -179.59 32.12 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.021 -0.832 . . . . 75.1 111.021 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.479 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.4 m-85 -134.47 152.91 52.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.149 0.5 . . . . 75.41 111.322 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.22 112.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 74.35 110.356 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 m -93.18 117.12 29.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.675 -0.693 . . . . 64.23 109.321 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -79.06 178.22 8.2 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.66 0.267 . . . . 75.24 110.72 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.72 49.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.284 0.564 . . . . 53.24 109.673 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.2 t -144.33 157.31 44.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.391 -0.822 . . . . 61.34 110.087 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.77 -23.54 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 70.42 111.856 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -61.92 -33.42 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.979 0.419 . . . . 74.23 111.14 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 28.5 mt-10 -76.32 -36.83 58.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.974 -0.557 . . . . 70.2 109.902 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.624 HG13 HD13 ' A' ' 16' ' ' LEU . 25.7 t -56.69 -48.05 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.52 -0.764 . . . . 32.33 110.572 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.94 -41.1 91.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 54.41 110.951 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.95 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 62.04 110.75 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.21 79.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.031 -0.531 . . . . 60.24 110.628 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.537 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.0 mtt -67.27 -45.85 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.508 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -59.51 -23.37 62.76 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.011 0.434 . . . . 35.12 110.688 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.58 0.88 32.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 75.55 112.053 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 21.9 ptt180 -73.1 147.36 88.12 Favored Pre-proline 0 C--O 1.233 0.226 0 N-CA-C 110.209 -0.293 . . . . 71.03 110.209 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 42.3 Cg_endo -66.58 127.14 7.85 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.348 -1.522 . . . . 73.13 112.616 1.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 30.0 t-80 -80.74 162.84 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.84 -0.618 . . . . 71.54 109.763 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -141.8 112.45 7.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.437 -0.347 . . . . 74.3 110.188 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.4 p -137.0 129.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.352 -0.385 . . . . 74.21 110.225 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 t70 64.71 19.64 11.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.554 -0.748 . . . . 63.35 110.383 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.94 17.53 74.58 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 115.935 -0.575 . . . . 52.21 112.562 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -120.74 121.88 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.935 -0.394 . . . . 71.31 109.935 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 88.5 t -64.41 120.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 72.42 109.948 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -115.64 174.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.053 0.454 . . . . 71.22 111.41 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.81 105.7 29.58 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.648 -0.706 . . . . 73.1 109.498 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HB2' HD21 ' A' ' 16' ' ' LEU . 29.8 Cg_endo -89.96 107.68 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.057 2.505 . . . . 64.33 112.268 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.65 162.04 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 63.21 110.778 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 130.75 46.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.282 -0.417 . . . . 75.35 110.125 176.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -73.22 139.72 46.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.141 0.496 . . . . 71.11 111.326 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 91' ' ' SER . 12.2 p -96.78 168.36 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.03 -0.73 . . . . 73.21 109.03 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 90' ' ' VAL . 14.8 m -57.64 142.19 45.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.278 -0.267 . . . . 74.24 110.278 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.674 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 8.2 ptm180 -58.44 -56.28 24.16 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.143 0.423 . . . . 72.43 112.143 -173.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.59 -34.35 78.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.976 0.417 . . . . 61.44 111.255 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.61 -21.08 66.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.508 -0.769 . . . . 74.11 111.595 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.779 ' HB3' ' N2 ' ' B' ' 4' ' ' ' G' . 32.8 t -111.61 -24.33 10.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.546 -0.297 . . . . 53.13 110.907 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 92' ' ' ARG . 47.3 mt-30 -67.38 -46.49 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.023 0.439 . . . . 74.42 110.606 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.517 -0.754 . . . . 74.42 110.108 178.306 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 1.066 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 C3'-C2'-C1' 103.341 2.045 . 0.0 '__' . 74.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 1.066 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C4'-C3'-C2' 104.863 2.163 . 0.0 OUTLIER . 72.34 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.765 " H1'" ' C2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 108.585 1.561 . 0.0 OUTLIER gamma 71.31 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.805 " H4'" H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 C1'-O4'-C4' 106.616 -3.315 OUTLIER-DELTA 0.0 OUTLIER delta 73.22 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.805 H5'' " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C4'-C3'-C2' 104.304 1.604 . 0.0 OUTLIER delta-1 75.31 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.614 " H1'" ' H5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 C4'-C3'-C2' 104.82 2.12 . 0.0 OUTLIER zeta-1 71.14 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.614 ' H5 ' " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-C2' 107.727 0.948 . 0.0 OUTLIER . 72.51 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.756 0.312 . . . . 55.33 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -62.77 153.68 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 70.1 110.582 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -111.03 169.1 8.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.847 0.355 . . . . 65.13 110.984 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -66.86 147.49 53.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.949 -0.569 . . . . 72.52 109.967 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -76.9 142.02 40.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.874 0.369 . . . . 75.33 110.9 -176.617 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.759 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 19.2 m -71.82 -55.39 5.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.034 -0.53 . . . . 63.55 111.501 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.759 ' HD3' ' HB2' ' A' ' 6' ' ' SER . 7.6 Cg_exo -73.11 99.53 1.11 Allowed 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.867 1.711 . . . . 71.45 111.732 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.87 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -100.26 18.66 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.298 -0.41 . . . . 64.33 110.795 -179.143 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.1 mp0 -55.49 138.69 68.36 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 115.8 -0.636 . . . . 74.15 110.717 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 52.1 Cg_exo -54.56 124.36 15.94 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.275 2.65 . . . . 75.15 113.679 -174.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -34.82 75.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.934 -1.03 . . . . 73.42 110.69 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.8 pt20 -68.23 -31.5 71.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.295 0.569 . . . . 65.12 110.362 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 15.8 tp -72.55 -38.93 67.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.554 -0.748 . . . . 44.32 110.547 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' HG2' HG13 ' A' ' 65' ' ' VAL . 95.9 mtt180 -81.06 -8.46 59.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.127 -0.942 . . . . 72.0 110.896 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 3.9 ttmp? -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.922 -0.581 . . . . 73.14 111.637 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.67 132.14 45.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.359 -0.837 . . . . 72.41 110.636 174.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 32.0 t80 -92.58 111.54 23.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.98 -0.748 . . . . 62.15 108.98 174.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 16' ' ' LEU . 19.3 mm -106.05 102.81 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.382 -0.372 . . . . 74.23 110.438 -175.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.644 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -111.48 147.05 17.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.252 -0.975 . . . . 73.21 112.45 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.69 53.68 2.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.986 -0.626 . . . . 54.24 112.68 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -123.89 166.36 15.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 51.05 110.882 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.19 160.97 23.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.11 -0.495 . . . . 74.4 111.726 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.53 1.3 30.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.476 0.655 . . . . 75.12 110.047 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -101.06 -14.32 17.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 74.3 109.597 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.66 ' HB ' HD13 ' A' ' 21' ' ' LEU . 33.2 m -72.27 109.66 6.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.197 -0.91 . . . . 73.43 110.576 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 28' ' ' GLU . 7.2 t -117.04 168.76 9.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.877 -0.601 . . . . 74.31 109.855 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.93 -50.7 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.752 0.658 . . . . 72.34 111.319 -175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.55 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.7 pt-20 -63.88 -44.68 92.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 74.13 111.95 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.8 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.14 0.495 . . . . 64.1 110.404 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.508 HD13 HG12 ' A' ' 45' ' ' VAL . 8.2 tt -76.76 -45.73 27.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.788 -0.642 . . . . 63.25 109.663 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.604 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 14.7 ptt180 -65.07 -34.15 77.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.029 -0.532 . . . . 72.34 110.229 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -62.25 -22.78 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 52.1 111.054 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -89.65 -38.89 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.14 111.056 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 40' ' ' LEU . 51.4 m-85 -82.51 -19.44 38.69 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.182 0.438 . . . . 75.52 112.182 -176.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 40.6 mt-10 -74.49 9.33 1.78 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.781 0.324 . . . . 73.03 110.96 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -90.59 -24.33 20.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.533 -0.303 . . . . 72.21 111.425 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.82 13.66 18.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.967 0.413 . . . . 72.32 110.4 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.549 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.48 -176.55 38.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.325 -0.941 . . . . 72.31 113.239 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -99.54 123.21 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 64.13 111.152 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD22 ' HB ' ' A' ' 60' ' ' VAL . 19.8 mt -93.91 112.76 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 61.13 109.988 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.1 p -80.61 -29.86 36.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.384 0.611 . . . . 62.12 109.449 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 15.0 m-20 -138.3 87.01 2.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 61.34 109.683 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 1.3 p -111.15 117.7 33.95 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.654 -0.703 . . . . 64.44 110.122 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.8 p -159.09 139.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.466 . . . . 55.11 110.919 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG12 HD13 ' A' ' 30' ' ' LEU . 23.9 m -101.6 163.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.348 -0.387 . . . . 75.52 110.096 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.566 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 24.2 mmt -100.66 142.8 31.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.596 -0.442 . . . . 74.42 110.423 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -106.25 162.81 13.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 65.33 110.329 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.2 t70 -68.02 136.84 91.94 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.647 -0.706 . . . . 64.14 109.241 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.84 -4.47 14.81 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.425 2.083 . . . . 75.24 113.145 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -115.9 -58.08 2.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.194 0.521 . . . . 63.35 109.759 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.691 ' HB ' HH11 ' A' ' 53' ' ' ARG . 17.3 p -76.65 -31.56 57.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.43 -0.805 . . . . 72.44 110.9 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.8 mmmt 69.4 25.68 5.43 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.546 -0.752 . . . . 51.11 111.581 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.691 HH11 ' HB ' ' A' ' 51' ' ' THR . 4.9 mpt_? -103.89 173.75 6.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.313 -0.995 . . . . 64.3 108.313 172.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -54.23 125.16 18.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.235 0.541 . . . . 75.03 109.966 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.847 ' HD3' ' HE2' ' A' ' 57' ' ' PHE . 5.7 ttt180 -72.77 -27.59 62.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.43 -0.805 . . . . 74.23 110.946 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.501 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 120.68 13.21 5.72 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.729 -0.748 . . . . 52.32 112.124 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.847 ' HE2' ' HD3' ' A' ' 55' ' ' ARG . 10.5 p90 -165.53 166.26 18.39 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.943 -0.392 . . . . 72.11 109.943 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.58 -173.98 29.83 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.904 -0.665 . . . . 73.32 112.506 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 89.3 m-85 -131.96 150.32 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.336 0.588 . . . . 71.51 111.167 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.625 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -142.46 110.54 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.37 -0.832 . . . . 62.25 110.888 176.494 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 7.8 m -98.79 108.98 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.649 -0.705 . . . . 60.43 109.585 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HE2' HD12 ' A' ' 16' ' ' LEU . 63.4 m-85 -75.44 171.13 14.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.746 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.42 62.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.344 0.592 . . . . 63.24 109.841 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.556 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -151.31 156.11 40.12 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.33 -0.85 . . . . 62.0 109.799 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -62.3 -20.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 45.34 111.087 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.18 -36.82 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.685 . . . . 62.14 110.433 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HG3' HG23 ' A' ' 64' ' ' THR . 23.2 mt-10 -79.17 -35.34 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 74.53 110.138 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 72' ' ' MET . 31.4 t -56.37 -48.38 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.605 -0.725 . . . . 71.34 110.498 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.93 -38.94 83.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 73.13 110.952 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.08 93.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 75.14 110.658 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.47 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 75.54 110.392 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 38.8 mtt -70.54 -32.58 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.518 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -75.0 -15.6 60.65 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.019 0.437 . . . . 74.22 110.464 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.79 9.46 16.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.911 -0.586 . . . . 64.3 111.264 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 15.2 ptt180 -73.86 148.66 87.33 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.081 -0.509 . . . . 74.35 110.412 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 8.1 Cg_exo -71.84 124.17 8.47 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.615 -1.41 . . . . 72.23 111.544 -1.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 16.8 t-80 -67.85 155.44 39.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.249 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 5.2 tppp? -142.19 101.89 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 71.14 110.466 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.71 126.58 68.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 70.05 109.947 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 65.13 21.41 12.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 75.32 110.189 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 79.19 12.21 84.23 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.857 -0.687 . . . . 42.11 111.969 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.9 tpt85 -111.67 127.44 55.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.066 -0.346 . . . . 73.24 110.066 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.2 t -78.61 107.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 71.34 109.826 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 33.2 m -100.51 172.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.046 -0.524 . . . . 74.31 111.195 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 43.9 tt0 -122.02 106.66 36.17 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.725 -0.67 . . . . 73.15 109.728 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 10.8 Cg_endo -88.89 108.68 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.156 2.571 . . . . 73.11 112.317 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -115.45 159.91 20.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.101 -0.499 . . . . 74.41 110.679 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -62.8 136.68 57.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.393 . . . . 63.42 110.022 175.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.47 157.68 26.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.318 0.58 . . . . 62.13 111.631 -177.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.0 t -119.47 160.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.247 -0.888 . . . . 72.13 109.237 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.445 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 1.8 p -63.36 136.55 57.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.806 0.336 . . . . 74.02 110.486 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.467 ' HG2' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -72.92 -21.24 60.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.152 0.501 . . . . 52.52 110.367 -177.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' OE2' ' HG2' ' A' ' 92' ' ' ARG . 1.9 mp0 -70.83 -37.4 73.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.596 -0.729 . . . . 65.55 110.2 175.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.46 -20.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.414 -0.812 . . . . 73.01 111.565 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 19.7 p -72.45 136.29 45.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.675 -0.491 . . . . 53.13 109.675 174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 95' ' ' SER . 27.5 mm-40 67.85 20.58 9.29 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.48 0.488 . . . . 63.01 110.757 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.421 -0.8 . . . . 70.3 109.045 177.705 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.822 ' C6 ' H5'' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C4'-C3'-C2' 105.871 3.171 OUTLIER-DELTA 0.0 '__' . 74.32 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.644 ' C2 ' ' HA3' ' A' ' 19' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 100.335 -1.294 . 0.0 OUTLIER . 73.43 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.847 " H5'" ' CZ ' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -1.003 1 C3'-C2'-C1' 97.542 -4.397 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.653 ' O6 ' ' HB1' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 98.898 -2.891 . 0.0 OUTLIER alpha 75.2 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.94 " O5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C4'-C3'-C2' 106.134 3.434 OUTLIER-DELTA 0.0 OUTLIER alpha 74.25 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.94 H5'' " O5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.113 0 C3'-C2'-C1' 99.732 -1.964 . 0.0 OUTLIER zeta-1 62.43 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.46 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C4'-C3'-C2' 103.776 1.076 . 0.0 OUTLIER gamma 71.41 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.797 0.332 . . . . 52.53 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -71.75 140.64 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.41 . . . . 72.44 110.976 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.67 -157.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 75.54 110.228 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -60.75 111.0 1.46 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.951 0.405 . . . . 53.42 110.103 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.23 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.86 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -143.96 94.55 5.86 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.501 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.39 148.96 84.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.657 2.238 . . . . 70.23 111.287 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -93.93 87.84 5.52 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.575 -0.528 . . . . 65.25 109.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.968 ' HG3' ' HD2' ' A' ' 14' ' ' ARG . 42.7 tt0 -117.97 87.0 26.73 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 74.35 112.048 -175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.636 ' HG2' HD21 ' A' ' 13' ' ' LEU . 2.7 Cg_exo -78.73 116.31 3.75 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.468 2.112 . . . . 53.4 109.996 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.9 tt0 -62.54 -24.35 67.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 71.4 110.255 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.56 -50.95 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 72.32 111.317 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 10' ' ' PRO . 3.9 pp -90.27 -13.11 36.0 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.575 -0.45 . . . . 73.53 111.742 -172.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.968 ' HD2' ' HG3' ' A' ' 9' ' ' GLU . 89.9 mtt180 -95.88 -7.17 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.665 0.269 . . . . 70.03 111.008 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -92.31 135.88 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 74.51 110.374 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.566 ' HG ' HG13 ' A' ' 68' ' ' VAL . 4.9 mt -95.58 128.1 42.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.761 -0.654 . . . . 55.13 110.746 174.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 23.1 t80 -89.23 113.8 25.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 63.55 109.199 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.4 mm -106.35 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.293 -0.412 . . . . 65.14 110.398 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 141.12 15.74 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.15 -1.024 . . . . 72.32 112.207 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.92 46.68 2.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.594 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.3 pp -117.34 170.03 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.58 0.229 . . . . 73.32 110.4 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 12.2 m -80.74 167.56 19.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.999 0.428 . . . . 73.55 111.058 -173.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.675 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 97.5 m-85 -78.71 -5.27 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.232 0.539 . . . . 51.51 110.694 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -95.4 -7.1 39.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.65 . . . . 74.52 109.353 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 23.6 m -78.02 102.8 7.58 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.182 -0.917 . . . . 72.15 110.276 176.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' HG2' ' A' ' 28' ' ' GLU . 8.9 t -106.83 172.08 7.02 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.811 -0.44 . . . . 73.52 109.811 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG23 ' A' ' 45' ' ' VAL . 1.6 m-20 -50.15 -49.23 52.81 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.77 0.669 . . . . 72.25 111.74 -173.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.516 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 pt-20 -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 71.01 111.153 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.209 0.528 . . . . 75.11 109.931 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HA ' HG21 ' A' ' 79' ' ' VAL . 4.9 tt -75.48 -50.39 15.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.43 -0.804 . . . . 75.51 110.227 -173.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 ptm180 -60.74 -41.31 95.14 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.777 -0.369 . . . . 75.21 110.348 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 m -65.47 -22.54 66.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.876 0.37 . . . . 61.44 111.362 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -81.76 -46.19 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.763 0.316 . . . . 55.21 110.638 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' HB2' HD11 ' A' ' 40' ' ' LEU . 31.4 m-85 -79.15 -13.97 59.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.186 0.439 . . . . 62.04 112.186 -174.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 56.6 mt-10 -78.66 13.32 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 73.01 111.066 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.7 mt-30 -88.93 -33.64 17.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.209 0.528 . . . . 74.11 110.396 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 27.0 m-90 -102.79 9.64 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.871 -0.604 . . . . 62.12 110.556 -177.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.55 -170.73 39.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.256 -0.973 . . . . 45.41 113.345 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 32.3 m -106.87 124.29 49.4 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.503 0.321 . . . . 72.24 110.608 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.766 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.4 mt -93.94 108.26 20.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.103 -0.332 . . . . 74.34 110.103 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.9 p -82.99 -19.14 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.453 0.644 . . . . 62.23 109.72 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.586 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -145.82 97.28 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.119 -0.946 . . . . 62.43 109.863 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.71 143.65 49.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.65 0.262 . . . . 72.42 110.496 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 13.6 p -165.51 148.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 64.12 110.618 -178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG23 ' HA ' ' A' ' 27' ' ' ASP . 87.5 t -113.36 139.31 39.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.836 -0.431 . . . . 62.24 109.836 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.609 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 24.5 mmt -82.74 128.76 34.68 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.251 -0.648 . . . . 74.2 109.251 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.563 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 27.8 mtm180 -122.67 161.55 23.62 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.551 -0.75 . . . . 62.31 111.159 -170.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.548 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 22.2 t70 -60.7 139.63 93.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 75.12 110.513 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.62 -8.74 23.22 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.717 2.278 . . . . 75.41 112.634 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -114.33 -60.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.009 0.433 . . . . 63.32 110.025 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 53' ' ' ARG . 18.0 p -74.05 -30.72 62.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.809 -0.632 . . . . 51.03 111.006 -175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 63.42 24.21 14.04 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.424 -0.807 . . . . 73.44 110.843 -176.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 24.7 mmm180 -88.96 -65.4 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.847 -0.341 . . . . 62.55 110.793 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.675 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 28.2 t -170.5 158.7 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 72.5 110.016 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -104.11 -25.49 12.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 72.42 110.6 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.66 13.48 7.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.509 -0.853 . . . . 60.32 112.608 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CZ ' H5'' ' B' ' 3' ' ' ' A' . 17.0 p90 -161.77 164.0 29.19 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.718 0.294 . . . . 75.32 110.715 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.4 -169.96 22.51 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.282 -0.485 . . . . 74.45 112.317 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.537 ' HE2' ' HE3' ' A' ' 46' ' ' MET . 96.7 m-85 -137.56 151.96 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 65.43 111.105 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.766 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -150.15 109.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 64.22 111.08 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 m -94.75 119.76 33.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.704 -0.68 . . . . 55.45 109.706 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' THR . 46.4 m-85 -84.71 169.47 14.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.38 -0.373 . . . . 73.14 110.931 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.6 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 61.22 110.572 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.494 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.2 t -156.72 158.03 36.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.749 -0.659 . . . . 62.31 110.398 178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 27.3 m -58.31 -33.64 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 113.224 0.824 . . . . 73.4 113.224 -173.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.65 -21.07 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.674 -0.41 . . . . 74.32 111.681 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 11.5 mt-10 -74.41 -32.54 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.231 -0.655 . . . . 73.34 109.231 174.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -63.57 -44.09 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.461 -0.791 . . . . 54.31 109.611 172.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.49 -46.99 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.454 -0.794 . . . . 70.12 110.414 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -40.1 79.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 41.21 111.398 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.16 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 51.11 111.036 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 45.5 mtt -69.02 -36.2 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.391 . . . . 65.12 110.5 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.72 -18.04 62.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.928 -0.578 . . . . 71.04 109.809 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.24 4.51 42.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.366 -0.834 . . . . 63.01 110.588 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.579 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 30.2 ttp180 -83.45 137.32 42.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 74.43 109.505 174.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.579 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 46.8 Cg_endo -66.83 128.01 9.11 Favored 'Cis proline' 0 C--N 1.344 0.326 0 C-N-CA 123.502 -1.457 . . . . 61.41 113.068 5.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.525 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 31.9 t-80 -84.89 167.52 15.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.428 -0.805 . . . . 73.11 109.934 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 4.1 tppp? -143.47 109.68 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.811 0.339 . . . . 62.23 110.977 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.6 p -138.65 128.98 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 63.21 109.86 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.519 ' OD2' ' HB2' ' A' ' 22' ' ' SER . 37.9 t70 65.14 28.1 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.634 0.73 . . . . 72.43 110.351 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.515 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 71.11 16.37 74.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.787 -0.721 . . . . 64.24 111.86 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 5.9 tpp180 -117.78 129.98 56.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.304 -0.258 . . . . 62.44 110.304 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -78.91 118.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 42.03 109.914 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 32.7 m -113.51 163.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 74.54 111.405 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.35 105.04 51.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 53.45 110.19 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 9.5 Cg_endo -88.59 114.29 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.322 2.682 . . . . 74.02 112.478 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -126.74 159.76 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.511 -0.313 . . . . 72.1 110.863 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.67 132.41 53.76 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.315 -0.254 . . . . 73.43 110.315 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.746 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.01 162.9 24.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 71.21 112.054 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.06 154.6 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.428 -0.806 . . . . 73.31 109.278 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -58.34 133.3 55.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.985 -0.376 . . . . 53.32 109.985 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.509 ' CD ' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.33 -20.3 63.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.087 0.47 . . . . 73.33 111.262 -175.352 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.42 -19.31 60.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.988 -0.551 . . . . 72.33 110.198 175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.03 -36.44 19.72 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.571 -0.74 . . . . 62.23 110.728 -178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.512 ' HB2' " O2'" ' B' ' 3' ' ' ' A' . 11.5 p -74.7 -75.94 0.15 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.024 -0.989 . . . . 74.44 112.746 -166.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 56.9 66.15 1.24 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.616 0.722 . . . . 75.22 110.403 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.547 -0.752 . . . . 71.14 109.905 177.172 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.676 " H3'" " H5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.446 -0.616 0 C4'-C3'-C2' 105.503 2.803 OUTLIER-DELTA 0.0 '__' . 65.33 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.705 " H3'" ' OP2' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 104.314 1.614 . 0.0 OUTLIER . 75.43 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.855 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 1 C3'-C2'-C1' 97.525 -4.417 . 0.0 OUTLIER alpha 75.14 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.855 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C1'-O4'-C4' 106.577 -3.359 . 0.0 OUTLIER alpha 74.03 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.845 ' N7 ' ' H8 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-C1' 100.383 -1.241 . 0.0 OUTLIER . 73.03 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.716 " H2'" ' H5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C3'-C2'-C1' 102.764 1.405 . 0.0 OUTLIER gamma 65.51 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.825 ' C5 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C4'-C3'-C2' 104.303 1.603 . 0.01 2g . 62.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.715 0.293 . . . . 52.52 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -72.21 93.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.144 0.497 . . . . 61.41 110.573 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -101.4 0.39 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.943 -0.572 . . . . 74.34 110.81 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 67.81 5.45 4.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.71 -0.677 . . . . 75.1 112.482 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.15 23.93 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.099 0.476 . . . . 75.42 110.808 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 13.1 m -69.29 146.54 96.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 73.11 110.152 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' SER . 37.6 Cg_exo -59.5 111.69 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.791 2.327 . . . . 70.44 112.387 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -12.87 57.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 71.43 111.092 -179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.671 ' HB3' ' HD3' ' A' ' 14' ' ' ARG . 43.8 mm-40 -86.12 113.16 50.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.146 -0.479 . . . . 75.4 109.961 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.32 136.67 76.02 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.707 2.271 . . . . 74.13 112.16 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -61.18 -35.64 77.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.772 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -51.39 -58.84 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 62.43 112.207 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -8.45 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.469 -0.492 . . . . 70.04 111.478 -171.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.671 ' HD3' ' HB3' ' A' ' 9' ' ' GLU . 50.4 mtm105 -91.51 -17.64 25.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.825 -0.435 . . . . 72.13 109.825 173.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -84.53 128.79 34.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.36 0.6 . . . . 75.14 109.835 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 60' ' ' VAL . 9.7 tp -99.12 126.57 44.9 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.225 -0.898 . . . . 72.55 109.741 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 29.8 t80 -83.98 112.8 20.5 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.365 -0.606 . . . . 74.03 109.365 176.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 15.8 mm -104.42 92.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.951 -0.568 . . . . 71.31 109.934 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 57' ' ' PHE . . . -101.14 142.49 15.77 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.179 -1.01 . . . . 63.42 110.921 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.99 ' HA2' " H5'" ' B' ' 1' ' ' ' U' . . . 90.17 40.52 5.78 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.357 -0.925 . . . . 75.44 112.055 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -105.48 166.11 10.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.093 -0.706 . . . . 74.24 109.093 173.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.542 ' HA ' ' C5 ' ' B' ' 1' ' ' ' U' . 97.0 p -75.64 175.22 8.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 75.41 111.678 -170.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.808 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 82.5 m-85 -85.8 2.19 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.274 0.559 . . . . 74.33 109.798 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -108.42 -10.68 15.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 75.44 109.704 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.6 m -64.57 126.37 27.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.757 -0.656 . . . . 61.41 109.918 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -131.82 165.79 23.04 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.144 -0.317 . . . . 64.13 110.144 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.3 m-20 -52.09 -40.84 61.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 71.12 111.647 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.35 -41.58 76.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 72.22 111.686 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 p -77.98 -31.27 50.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.145 -0.622 . . . . 75.24 109.535 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 45' ' ' VAL . 18.2 tp -61.73 -46.03 91.41 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.744 -0.662 . . . . 54.22 109.494 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.569 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.0 ptm180 -66.94 -43.22 83.76 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.373 -0.531 . . . . 71.53 109.898 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -62.34 -33.04 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.823 0.344 . . . . 72.42 111.703 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.405 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 21.8 m80 -81.62 -15.97 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.859 0.318 . . . . 72.42 111.859 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 40.3 m-85 -112.23 -19.22 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.793 0.664 . . . . 63.13 112.793 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' CD ' ' HE ' ' A' ' 31' ' ' ARG . 41.4 mt-10 -77.34 13.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.463 0.649 . . . . 63.23 110.344 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.3 mt-30 -79.58 -37.44 36.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 72.14 110.751 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.4 m-90 -107.39 10.52 29.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.499 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.37 -165.99 38.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.075 -1.06 . . . . 31.15 113.442 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.1 m -115.53 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 122.569 0.348 . . . . 75.13 110.566 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 60' ' ' VAL . 35.1 mt -92.96 109.91 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.206 0.527 . . . . 73.14 110.487 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.8 p -81.16 -17.79 48.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.499 -0.773 . . . . 73.42 110.094 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 61' ' ' THR . 25.4 t70 -148.31 105.39 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 63.21 110.519 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.31 131.5 56.5 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 110.019 -0.363 . . . . 63.45 110.019 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.2 p -156.34 125.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 62.03 111.115 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HD22 ' A' ' 30' ' ' LEU . 74.6 t -100.46 145.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.468 -0.568 . . . . 71.42 109.468 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.63 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 25.2 mmt -87.19 130.97 34.34 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.865 -0.42 . . . . 70.31 109.865 176.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -111.03 144.72 39.7 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.326 -0.397 . . . . 74.5 109.987 -179.253 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.499 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 15.6 t70 -55.27 138.79 66.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.374 -0.83 . . . . 74.11 110.634 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.45 -15.94 52.46 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.551 2.168 . . . . 71.04 112.061 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.94 -62.3 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 63.25 110.134 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 53' ' ' ARG . 18.1 p -72.4 -33.1 66.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 75.43 111.106 -174.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 65.21 29.75 11.66 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.109 -0.496 . . . . 72.5 111.471 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -108.57 -66.14 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.77 -0.372 . . . . 60.43 110.766 175.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 43.9 t -152.1 149.05 28.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.882 0.372 . . . . 74.42 110.529 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 41.7 mtp180 -102.84 1.65 34.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.731 -0.668 . . . . 74.3 110.484 174.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.07 13.12 66.86 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.654 -0.784 . . . . 62.11 112.705 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.929 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 27.8 p90 -160.98 157.15 25.88 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.044 0.45 . . . . 63.44 111.2 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.71 -177.15 28.65 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.707 -0.679 . . . . 52.44 111.472 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -135.45 150.81 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.313 0.578 . . . . 65.34 111.311 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.678 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -148.92 111.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.203 -0.908 . . . . 74.32 110.618 -176.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -94.53 114.37 26.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.484 -0.78 . . . . 74.11 110.333 -176.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' THR . 64.9 m-85 -80.11 166.36 21.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.785 0.326 . . . . 74.25 110.907 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.12 -34.22 70.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.241 0.543 . . . . 73.23 110.016 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.7 t -143.19 154.25 43.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.456 -0.793 . . . . 61.25 109.893 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -55.72 -26.07 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.41 111.569 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.37 -43.85 75.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.341 0.591 . . . . 74.41 110.91 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 64' ' ' THR . 20.9 mt-10 -71.47 -34.25 70.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 72.04 110.333 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 16' ' ' LEU . 48.3 t -58.57 -48.47 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.551 -0.749 . . . . 73.21 110.285 174.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -57.61 -45.69 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.789 -0.641 . . . . 61.54 110.361 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.84 80.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 74.02 111.246 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.24 78.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.384 -0.371 . . . . 72.12 111.172 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.4 mtt -69.93 -31.47 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 74.24 110.725 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -80.98 -12.28 59.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 71.14 111.182 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.64 10.68 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.887 0.375 . . . . 62.43 111.741 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.673 ' HD3' ' HD2' ' A' ' 86' ' ' PRO . 87.2 mtm180 -75.42 157.74 84.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.396 -0.366 . . . . 71.2 110.825 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 21.0 Cg_exo -65.09 130.01 10.21 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.932 -1.278 . . . . 71.24 112.888 1.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -80.77 147.9 30.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 64.32 110.202 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.0 tppt? -131.89 112.59 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 71.44 110.528 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG21 ' CE2' ' A' ' 34' ' ' PHE . 90.5 t -124.82 119.35 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.249 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.75 25.04 14.04 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.537 0.684 . . . . 41.22 110.701 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 81.85 7.66 87.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.592 -0.813 . . . . 72.13 111.99 -177.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -113.39 125.73 54.57 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.493 0.317 . . . . 74.41 110.184 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.63 114.6 10.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.822 -0.436 . . . . 71.23 109.822 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -103.76 172.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.953 -0.567 . . . . 70.32 110.703 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 44.7 tt0 -126.43 105.88 24.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 74.13 109.675 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.673 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 10.5 Cg_endo -88.47 111.19 0.63 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.251 2.634 . . . . 53.1 112.403 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -121.29 159.25 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.941 -0.572 . . . . 60.53 110.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.452 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -60.77 131.82 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.097 -0.334 . . . . 73.45 110.097 177.276 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.527 ' HA ' ' C2 ' ' B' ' 3' ' ' ' A' . . . -76.05 141.7 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.37 0.605 . . . . 63.35 111.704 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.35 117.05 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.4 -0.818 . . . . 74.45 109.566 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.8 t -47.25 141.39 4.62 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.338 0.399 . . . . 75.12 111.431 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -59.31 -24.36 63.23 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.268 0.556 . . . . 53.03 110.289 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -70.83 -32.0 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.56 -0.745 . . . . 65.12 110.135 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.68 -36.5 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.149 -0.932 . . . . 64.35 110.656 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 p -72.98 136.59 45.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.445 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -74.35 -47.95 31.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.397 -0.365 . . . . 73.31 110.813 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.769 -0.634 . . . . 74.4 110.195 177.249 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.99 " H5'" ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O5'-C5'-C4' 111.665 1.046 . 0.0 '__' . 73.11 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.954 " H5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C4'-C3'-C2' 104.439 1.739 . 0.0 OUTLIER gamma 65.31 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.846 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C4'-C3' 104.124 -0.983 . 0.0 OUTLIER . 73.15 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.846 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.421 -1.176 1 C1'-O4'-C4' 104.65 -5.501 OUTLIER-DELTA 0.0 OUTLIER delta 73.54 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.946 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 105.434 2.734 OUTLIER-DELTA 0.0 OUTLIER delta-1 74.22 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.946 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 105.327 2.627 . 0.0 OUTLIER delta-1 73.12 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.782 ' C5 ' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 103.458 -1.458 . 0.0 OUTLIER gamma 72.02 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.947 0.403 . . . . 62.14 110.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -129.68 -174.95 3.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.067 -0.716 . . . . 62.25 109.067 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.833 ' HA ' HG22 ' A' ' 41' ' ' THR . 57.6 mttp -73.66 110.22 7.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 72.03 110.52 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 m 70.87 98.08 0.07 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 114.732 -1.122 . . . . 53.12 111.231 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HG2' ' CB ' ' A' ' 63' ' ' ALA . 50.8 mm-40 -71.47 97.07 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.752 -0.833 . . . . 51.42 108.752 174.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m 65.11 104.96 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 123.8 0.687 . . . . 73.42 109.688 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -44.64 107.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.573 2.849 . . . . 71.24 112.763 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 28.2 ttmt -101.86 -23.92 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.654 -0.703 . . . . 72.14 110.338 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.673 ' HB3' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 97.49 -84.38 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 125.164 1.386 . . . . 73.12 112.596 173.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.673 ' CD ' ' HB3' ' A' ' 9' ' ' GLU . 18.6 Cg_endo -56.57 121.24 9.69 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.808 1.672 . . . . 73.44 113.174 -169.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -19.89 42.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 74.04 109.857 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 4.8 tt0 -56.6 -57.56 11.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.047 -0.524 . . . . 63.04 111.633 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -74.1 -10.88 60.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.101 0.477 . . . . 70.14 110.836 -173.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -102.78 -6.57 22.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.96 -0.563 . . . . 74.51 110.537 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.2 ttmm -95.39 130.4 42.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.52 0.676 . . . . 72.04 110.888 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' HG23 ' A' ' 60' ' ' VAL . 6.2 mt -97.19 131.06 44.29 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.094 -0.957 . . . . 64.1 110.478 174.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 14.7 t80 -90.53 115.27 27.54 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.044 -0.724 . . . . 73.21 109.044 175.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 mm -107.24 97.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.829 0.347 . . . . 64.12 110.31 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.58 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -105.95 143.98 15.77 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.139 -1.029 . . . . 52.42 112.425 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.04 47.58 5.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 74.41 112.761 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.7 pp -109.43 170.52 8.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.732 0.266 . . . . 73.12 110.318 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.6 p -73.03 164.93 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.204 0.526 . . . . 43.2 111.238 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.91 3.35 34.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.28 0.562 . . . . 75.32 109.969 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 22.1 mt-10 -104.08 -9.02 19.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.595 -0.73 . . . . 74.43 109.048 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.3 m -65.08 99.63 0.38 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.546 -0.752 . . . . 73.03 110.751 176.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 t -94.68 157.35 16.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.874 -0.603 . . . . 72.32 109.601 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 6.7 m-20 -50.9 -42.59 59.42 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.628 0.58 . . . . 71.54 111.542 -174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.34 -40.39 93.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 74.35 111.252 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.6 m -71.17 -38.72 72.15 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.443 -0.577 . . . . 64.4 109.443 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 45' ' ' VAL . 2.9 tm? -61.46 -49.12 78.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.282 -0.872 . . . . 61.22 109.878 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptm180 -64.65 -40.43 95.44 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.588 -0.445 . . . . 71.33 110.284 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -59.59 -38.39 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 72.34 111.507 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.547 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 74.1 m80 -78.45 -20.47 50.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.629 -0.26 . . . . 75.12 111.592 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.1 m-85 -103.2 -20.46 14.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.37 0.507 . . . . 71.22 112.37 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 81.2 mt-10 -75.99 13.42 0.87 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.066 0.46 . . . . 75.23 110.989 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -90.79 -25.34 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 70.13 111.106 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.547 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.0 m-90 -112.84 13.33 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 72.34 110.274 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.77 -166.03 39.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.528 -0.844 . . . . 61.12 112.952 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 53.8 m -115.87 120.95 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.472 0.309 . . . . 61.35 110.355 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD22 ' HB ' ' A' ' 60' ' ' VAL . 31.0 mt -90.71 106.52 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.391 -0.524 . . . . 74.14 110.736 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.833 HG22 ' HA ' ' A' ' 3' ' ' LYS . 59.6 p -75.29 -28.48 59.76 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 73.32 109.347 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.9 t70 -139.91 98.99 3.58 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.762 -1.108 . . . . 73.22 110.275 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.08 132.98 55.21 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.7 -0.481 . . . . 74.42 109.7 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.3 p -162.81 129.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.296 0.569 . . . . 74.45 111.382 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.492 HG22 ' HG ' ' A' ' 30' ' ' LEU . 54.1 t -92.72 131.78 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.487 -0.931 . . . . 72.02 108.487 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.478 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 21.0 mmt -68.07 123.98 22.16 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.792 0.806 . . . . 73.25 110.115 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -127.24 148.97 50.2 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.329 -1.305 . . . . 74.44 109.307 -173.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.31 138.66 74.34 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 123.711 0.632 . . . . 61.41 110.848 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.24 -13.88 36.76 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.472 2.115 . . . . 74.23 112.828 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -105.38 -54.72 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.151 0.501 . . . . 74.54 109.837 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -84.42 -27.59 27.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.662 -0.699 . . . . 71.15 111.104 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm 64.76 28.26 12.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.819 -0.628 . . . . 74.02 110.931 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.67 156.12 17.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 64.04 109.95 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 m -63.83 133.01 52.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.132 0.491 . . . . 72.33 111.288 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -84.0 -17.36 40.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 71.24 112.332 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.51 10.89 18.68 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.056 -1.068 . . . . 73.03 112.48 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.72 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 7.1 p90 -162.06 161.29 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.138 -0.319 . . . . 74.21 110.138 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 45' ' ' VAL . . . -162.26 -167.71 23.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.946 -0.645 . . . . 64.55 112.764 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -134.95 156.8 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 74.14 111.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.98 109.95 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-N 115.723 -0.671 . . . . 73.31 111.142 178.291 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 6.0 m -93.93 115.33 27.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.768 -0.651 . . . . 74.13 109.34 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.46 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.6 m-85 -82.61 171.56 13.92 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.268 -0.423 . . . . 74.22 110.344 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' CB ' ' HG2' ' A' ' 5' ' ' GLU . . . -70.15 -26.53 63.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 54.03 109.786 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 66' ' ' GLU . 9.3 t -161.83 174.62 12.91 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 71.13 110.388 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.12 -36.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.798 0.666 . . . . 74.43 112.798 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 64' ' ' THR . 2.9 pm0 -62.76 -19.61 64.15 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.901 0.334 . . . . 74.13 111.901 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.2 mt-10 -80.08 -42.83 22.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.765 -0.458 . . . . 74.44 109.765 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 16' ' ' LEU . 26.4 t -56.54 -45.35 82.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 72.24 110.123 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.55 -45.19 73.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.313 -0.858 . . . . 61.14 110.931 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.42 87.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 51.52 110.942 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.11 69.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.294 -0.412 . . . . 73.13 110.602 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 40.1 mtt -72.32 -36.64 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.299 -0.409 . . . . 70.42 110.039 176.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.67 -9.26 57.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.068 -0.515 . . . . 72.51 110.526 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -1.33 57.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.849 -0.614 . . . . 71.24 110.608 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.662 ' HG3' ' HA ' ' A' ' 76' ' ' PRO . 43.5 ttp180 -74.03 139.92 76.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 72.33 110.092 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.662 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . 52.7 Cg_endo -68.55 123.86 6.49 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.477 -1.468 . . . . 63.21 112.896 2.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 23.9 t-80 -75.45 161.15 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 75.31 109.739 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -143.44 111.94 6.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.417 -0.356 . . . . 72.53 110.044 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.6 p -136.81 128.95 44.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.998 -0.546 . . . . 61.21 110.337 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 24' ' ' GLU . 8.2 t70 64.07 19.82 11.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.558 -0.746 . . . . 60.53 110.711 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.66 15.52 73.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.849 -0.691 . . . . 62.4 112.176 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.8 tpt180 -119.79 132.71 55.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 73.33 110.506 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.16 122.28 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 64.01 109.861 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -120.36 164.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.103 0.477 . . . . 74.32 111.626 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -117.84 107.74 43.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.481 -0.781 . . . . 60.24 109.884 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -91.04 115.72 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.185 2.59 . . . . 54.54 112.309 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 18.5 ptpt -121.62 160.42 24.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 53.14 110.728 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 119.41 7.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.54 -0.541 . . . . 74.43 109.54 176.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.624 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -74.26 130.64 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.124 0.488 . . . . 62.53 111.073 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 150.03 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.962 -0.563 . . . . 73.32 109.865 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.626 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 30.6 t -52.52 130.0 30.56 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.823 -0.436 . . . . 73.01 109.823 174.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.577 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -64.06 -29.67 70.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.141 -0.689 . . . . 75.23 109.141 177.005 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.73 -36.01 81.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.798 -0.637 . . . . 72.25 110.112 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 10.8 t70 -61.75 -49.55 75.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.922 -0.581 . . . . 73.42 110.085 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -68.86 -24.3 64.33 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.292 -0.867 . . . . 72.22 110.294 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 92' ' ' ARG . 16.3 mm100 -72.1 -42.96 65.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.788 -0.642 . . . . 73.4 110.378 174.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 . . . . . 0 C--O 1.248 1.012 0 O-C-N 124.399 1.062 . . . . 72.13 110.604 -179.522 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.821 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.532 0.681 0 C4'-C3'-C2' 105.537 2.837 OUTLIER-DELTA 0.0 '__' . 74.15 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.821 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 C3'-C2'-C1' 100.705 -0.883 . 0.0 OUTLIER zeta-1 75.52 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.792 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 C3'-C2'-C1' 98.86 -2.933 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.792 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 98.648 -3.169 . 0.0 OUTLIER gamma 74.23 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 1.01 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-C2' 108.025 1.16 . 0.0 OUTLIER gamma 73.44 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.01 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 107.428 0.734 . 0.0 OUTLIER . 73.04 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.882 " H3'" " O3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-C2' 107.811 1.008 . 0.0 OUTLIER . 75.34 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.714 0.292 . . . . 44.12 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -88.21 -37.58 15.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.768 -0.827 . . . . 72.24 108.768 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -159.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.251 -0.886 . . . . 74.2 108.736 173.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 m -68.64 95.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.671 -0.492 . . . . 71.22 109.671 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -149.58 26.69 0.83 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 52.15 110.407 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -74.19 122.59 87.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 42.45 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.63 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.77 2.313 . . . . 73.55 111.874 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 11.6 mptt -102.37 43.0 1.1 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.351 -0.386 . . . . 75.0 111.49 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.71 102.02 9.31 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.184 -0.673 . . . . 53.33 109.184 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 76.9 Cg_exo -49.21 137.38 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.065 2.51 . . . . 73.43 112.578 -174.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.591 ' HG2' ' HE2' ' A' ' 15' ' ' LYS . 45.0 tt0 -63.1 -40.1 96.64 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 120.781 -0.368 . . . . 63.15 110.563 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -60.34 -30.97 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.29 0.567 . . . . 73.43 110.255 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 10' ' ' PRO . 14.7 tp -69.32 -41.04 77.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.592 -0.731 . . . . 74.52 110.488 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -90.97 -5.0 56.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.212 -0.904 . . . . 72.1 111.161 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.6 ttmm -96.49 131.99 42.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.014 -0.539 . . . . 71.13 109.871 -177.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -100.1 128.48 46.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.418 -0.81 . . . . 72.21 109.953 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 26.7 t80 -85.9 117.73 24.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.168 -0.679 . . . . 73.22 109.168 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 9.7 mm -107.95 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.61 -0.268 . . . . 74.25 110.337 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.32 140.43 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.861 . . . . 64.42 110.946 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 112.53 1.77 26.02 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.344 -0.931 . . . . 61.32 112.749 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.4 pp -82.46 163.03 21.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 73.21 111.114 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.7 p -77.83 177.71 7.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 74.11 111.304 -172.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.694 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 40.3 m-85 -85.76 2.66 44.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 74.33 109.837 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.81 -9.53 18.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 65.14 109.862 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.683 ' HB ' HD13 ' A' ' 21' ' ' LEU . 37.2 m -71.85 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.438 -0.801 . . . . 71.04 111.032 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 29' ' ' SER . 3.0 t -84.88 161.9 19.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 74.54 110.311 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.3 p-10 -59.01 -42.97 91.4 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.037 0.446 . . . . 62.41 111.252 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.19 -42.21 98.17 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.513 -0.767 . . . . 72.42 111.383 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 26' ' ' THR . 32.6 t -70.08 -39.13 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.251 -0.648 . . . . 63.43 109.251 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 25' ' ' THR . 2.4 tm? -63.59 -44.06 95.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 74.32 109.525 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 20.3 ptt85 -67.27 -39.13 86.03 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.766 -0.374 . . . . 70.43 110.127 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -60.66 -34.89 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 72.01 110.927 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -81.17 -28.31 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.603 -0.271 . . . . 65.45 111.523 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 40.4 m-85 -95.54 -15.89 22.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.495 0.554 . . . . 73.22 112.495 -177.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 64.9 mt-10 -80.4 10.43 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 75.14 110.673 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -82.84 -36.23 25.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.618 -0.719 . . . . 71.22 111.028 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -106.0 1.73 26.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.696 0.284 . . . . 73.34 110.968 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.6 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -179.2 174.13 46.12 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.019 -1.086 . . . . 53.23 113.24 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 66.3 m -93.69 126.63 38.97 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.571 0.348 . . . . 71.23 110.74 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.823 HD22 ' HB ' ' A' ' 60' ' ' VAL . 25.8 mt -98.07 111.02 23.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 73.03 110.27 175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -83.12 -21.96 33.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.426 0.631 . . . . 65.51 109.984 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 31.5 t70 -141.23 102.7 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.382 -0.826 . . . . 53.13 110.328 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.3 p -112.59 128.71 56.44 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.388 -0.369 . . . . 65.24 110.017 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG21 ' C4 ' ' B' ' 5' ' ' ' G' . 5.4 p -150.77 131.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.288 0.566 . . . . 72.15 110.968 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 27' ' ' ASP . 54.4 t -115.69 135.53 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.999 -0.546 . . . . 73.44 109.761 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.736 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 21.6 mmt -78.18 135.86 37.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.972 -0.558 . . . . 74.22 110.172 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.55 156.12 41.33 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.462 -0.57 . . . . 75.25 109.462 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 9.5 t70 -64.91 137.74 97.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.894 -0.593 . . . . 74.25 109.576 176.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.2 -14.44 40.55 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.374 2.049 . . . . 72.24 112.58 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.97 -48.91 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.4 -0.364 . . . . 74.41 110.311 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 17.9 p -85.44 -30.39 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 72.41 110.94 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 68.31 22.53 8.01 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.677 -0.692 . . . . 72.11 110.955 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -100.0 157.38 16.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.642 -0.708 . . . . 63.15 109.219 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.694 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 13.4 m -56.6 143.12 37.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.406 0.441 . . . . 61.25 111.613 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -87.36 8.04 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 62.43 111.834 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.736 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 88.45 5.92 74.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.564 -0.826 . . . . 53.43 112.59 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.756 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 11.4 p90 -158.46 161.37 37.43 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.991 0.424 . . . . 72.11 111.312 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 -178.98 31.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.512 -0.767 . . . . 72.03 111.455 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.52 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.4 m-85 -134.47 148.74 50.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 75.44 111.18 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.823 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -143.96 111.49 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.42 -0.809 . . . . 73.1 111.104 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.1 m -90.75 115.4 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 74.5 109.343 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 65.1 m-85 -81.78 164.06 21.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 75.13 110.736 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.682 -0.69 . . . . 74.32 110.801 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.543 HG23 ' HG2' ' A' ' 67' ' ' GLU . 3.0 t -160.07 163.21 34.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.417 -0.811 . . . . 74.44 109.834 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.59 -28.44 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 60.1 111.259 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.72 -34.29 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 74.44 111.108 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.0 mm-40 -68.97 -39.11 79.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.815 -0.629 . . . . 51.15 109.834 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 16' ' ' LEU . 36.3 t -60.64 -44.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.158 -0.928 . . . . 61.35 111.196 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.52 -46.06 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.406 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.551 -0.295 . . . . 74.12 111.08 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.83 89.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.18 -0.464 . . . . 55.12 111.034 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.1 mtt -66.97 -37.04 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.363 -0.381 . . . . 72.44 110.676 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 84.2 m-20 -69.15 -17.02 63.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 75.2 110.898 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.33 23.98 1.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 71.3 111.346 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -72.35 146.65 89.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 71.12 110.224 178.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.52 130.37 18.21 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.694 -1.378 . . . . 62.15 111.425 -2.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.036 -0.529 . . . . 74.45 110.364 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -141.2 103.52 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.367 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 130.46 71.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.976 -0.556 . . . . 75.43 109.906 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.35 28.24 17.73 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.699 0.762 . . . . 73.3 109.859 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.99 17.81 72.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 73.14 111.905 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -114.71 135.83 53.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.232 -0.284 . . . . 61.51 110.232 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.35 121.27 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.931 -0.396 . . . . 75.22 109.931 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -117.52 170.27 7.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.009 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HB2' ' H3 ' ' B' ' 2' ' ' ' U' . 37.1 mt-10 -118.65 107.82 42.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.941 -0.572 . . . . 75.25 109.804 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HB2' HD21 ' A' ' 16' ' ' LEU . 18.8 Cg_endo -89.55 106.14 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 123.064 2.509 . . . . 72.43 111.826 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -118.85 167.6 11.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.879 -175.788 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.32 141.69 58.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.997 -0.372 . . . . 75.21 109.997 177.136 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.798 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -88.07 143.3 27.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.178 0.513 . . . . 70.3 111.702 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 91' ' ' SER . 14.7 p -95.97 164.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.028 -0.73 . . . . 73.54 109.028 174.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.797 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 14.9 m -52.86 129.86 31.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.153 -0.314 . . . . 74.32 110.153 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.528 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 6.8 ptp180 -65.97 -30.66 71.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.169 0.509 . . . . 73.13 109.663 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 -30.26 67.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 54.4 110.14 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.797 ' HB2' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -64.36 -37.3 87.03 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.545 -0.752 . . . . 64.44 110.354 -178.012 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.473 ' HB2' ' H21' ' B' ' 4' ' ' ' G' . 33.3 m -98.88 5.26 47.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 64.43 111.509 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -109.24 -2.76 17.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.51 -0.313 . . . . 75.25 110.729 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HD2' ' OXT' ' A' ' 97' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.753 -0.642 . . . . 60.14 109.892 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.835 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 O4'-C4'-C3' 103.914 -1.133 . 0.0 '__' . 74.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.835 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 100.309 -1.323 . 0.0 OUTLIER . 75.42 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.798 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 98.675 -3.139 . 0.0 OUTLIER . 75.32 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.903 " H4'" ' OP1' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C1'-O4'-C4' 106.299 -3.667 OUTLIER-EPSILON 0.0 OUTLIER alpha 75.13 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 1.045 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 C3'-C2'-C1' 100.415 -1.206 . 0.0 OUTLIER epsilon-1 74.41 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.045 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 108.051 1.179 . 0.0 OUTLIER gamma 75.13 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.739 " H4'" ' OP2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C4'-C3'-C2' 103.374 0.674 . 0.0 OUTLIER . 71.23 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.81 0.338 . . . . 75.43 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -107.9 -26.39 10.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.322 0.582 . . . . 43.24 109.853 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -121.61 92.39 3.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.368 -0.833 . . . . 71.35 109.658 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -130.7 9.9 5.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.792 -0.64 . . . . 73.14 110.193 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -81.26 172.26 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.12 -176.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 54.0 m -147.38 110.09 3.93 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.333 -0.394 . . . . 74.2 110.383 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 6' ' ' SER . 31.1 Cg_endo -63.82 151.94 82.89 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.854 2.369 . . . . 74.32 112.465 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.08 -89.36 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 73.43 109.944 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 tt0 -165.78 -61.24 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 119.453 -0.308 . . . . 74.42 110.711 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 9' ' ' GLU . 9.8 Cg_endo -52.31 117.08 3.27 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.436 2.091 . . . . 71.11 112.948 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.199 -0.91 . . . . 73.04 110.9 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.15 -28.76 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.031 0.443 . . . . 70.22 110.968 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD23 ' HG2' ' A' ' 10' ' ' PRO . 15.1 tp -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.49 0.662 . . . . 62.1 110.186 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -85.39 -6.29 59.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.904 -1.044 . . . . 61.01 110.618 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.8 ttmm -99.63 134.92 41.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.465 0.65 . . . . 73.04 110.62 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.71 134.18 42.98 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.081 -0.963 . . . . 73.13 110.863 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -93.71 111.83 23.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.868 -0.79 . . . . 62.45 108.868 173.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 16' ' ' LEU . 13.1 mm -105.88 98.38 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.368 -0.378 . . . . 73.51 110.164 -175.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.539 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -109.77 144.17 16.74 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.02 -1.086 . . . . 65.24 112.177 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.89 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 86.73 43.73 5.99 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.761 -0.733 . . . . 64.2 112.584 176.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -105.7 165.2 11.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 74.5 111.129 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.3 t -59.93 149.96 30.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 73.02 110.945 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.13 -12.02 61.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.155 0.502 . . . . 64.4 110.378 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.55 -7.73 49.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.329 0.585 . . . . 72.31 109.903 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 87.1 m -75.41 96.17 3.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.452 -0.795 . . . . 73.51 110.857 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.444 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.6 t -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.607 -0.724 . . . . 64.13 109.443 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.8 p-10 -52.3 -45.66 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.88 0.472 . . . . 42.44 111.985 -171.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.5 pt-20 -63.99 -34.69 78.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.798 -0.637 . . . . 72.03 111.701 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -79.5 -35.97 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.729 -0.841 . . . . 73.24 108.729 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD23 HG21 ' A' ' 25' ' ' THR . 2.9 tm? -64.96 -43.07 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.067 . . . . 72.15 109.551 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.8 ptm180 -66.71 -42.2 86.74 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.739 -0.384 . . . . 74.33 109.995 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.92 -27.12 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.52 111.329 -176.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CE1' ' H ' ' A' ' 80' ' ' ASP . 49.1 m80 -79.48 -48.38 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.375 . . . . 73.53 110.678 173.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 40' ' ' LEU . 29.1 m-85 -75.94 -18.81 59.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.369 0.507 . . . . 72.42 112.369 -174.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.3 mt-10 -75.74 11.88 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 70.51 111.084 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 43.7 mt-30 -85.47 -30.19 23.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.101 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 22.0 m-90 -108.33 14.29 24.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 75.01 110.273 -177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.79 -159.97 32.73 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.608 -0.806 . . . . 74.05 112.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 m -122.85 124.77 44.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.652 0.263 . . . . 63.52 110.662 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.1 mt -91.43 104.3 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 70.0 110.431 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.9 p -71.8 -23.2 61.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.833 0.825 . . . . 51.44 109.393 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 24.7 t70 -142.24 125.07 16.03 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.739 -1.118 . . . . 52.05 109.44 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.4 p -144.22 131.29 20.53 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.992 0.425 . . . . 71.14 110.371 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 10.8 p -164.55 138.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 72.14 110.857 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 27' ' ' ASP . 34.0 m -108.43 151.28 10.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.762 -0.829 . . . . 75.03 108.762 172.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.485 ' HE1' ' C8 ' ' B' ' 5' ' ' ' G' . 22.5 mmt -82.83 141.7 32.09 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.114 -0.699 . . . . 64.32 109.114 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -109.14 157.34 18.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.786 -0.45 . . . . 72.13 109.786 -177.06 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 20.7 t70 -62.32 139.45 96.39 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.59 -0.522 . . . . 73.42 109.59 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.28 -16.09 47.47 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.317 2.011 . . . . 71.11 112.082 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.96 -60.21 1.64 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.173 -0.467 . . . . 72.45 109.895 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 16.2 p -76.31 -30.28 57.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 60.44 111.19 -175.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? 65.22 26.77 12.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.901 -0.591 . . . . 74.13 110.431 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.575 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 9.9 mpt_? -95.58 -76.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 75.23 110.908 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -149.43 149.27 30.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.983 0.42 . . . . 72.02 111.583 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mmt180 -101.91 -8.21 21.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.65 -0.704 . . . . 72.11 110.971 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.672 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 90.61 18.17 49.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 74.54 112.519 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.771 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 22.0 p90 -170.85 161.94 7.34 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.41 -0.218 . . . . 73.34 110.41 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.36 -171.64 25.45 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.078 -0.582 . . . . 72.11 112.69 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -133.46 153.66 51.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 75.13 110.806 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -149.18 112.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 61.53 111.662 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.0 m -98.48 116.0 29.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.588 -0.733 . . . . 71.33 109.477 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.3 m-85 -80.24 176.49 9.72 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.126 0.489 . . . . 73.54 111.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.3 64.39 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.769 -0.65 . . . . 42.31 109.791 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.6 t -148.94 163.88 36.17 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.579 -0.737 . . . . 70.52 110.733 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.758 HG23 HH21 ' A' ' 88' ' ' ARG . 2.7 p -59.75 -32.03 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 73.5 111.528 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.89 -38.68 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 75.52 111.542 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 27.3 mt-10 -72.16 -36.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 73.44 110.686 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 72' ' ' MET . 21.0 t -59.02 -46.29 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.023 -0.535 . . . . 42.53 110.549 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.44 -41.26 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 74.52 110.932 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.53 87.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.726 0.298 . . . . 32.13 110.789 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.49 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.115 0.483 . . . . 74.44 110.449 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.0 mtt -70.13 -38.5 75.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 65.12 110.482 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -69.33 -16.13 63.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 65.14 110.857 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.19 -2.17 47.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 75.0 110.941 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 73.5 ttt180 -67.72 141.61 95.15 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.072 -0.513 . . . . 63.44 109.912 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 2.8 Cg_exo -71.93 117.47 3.79 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.903 -1.29 . . . . 72.14 112.52 4.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.64 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 25.0 t-80 -75.21 133.06 41.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.206 -0.906 . . . . 73.12 110.142 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -117.85 110.27 17.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.655 0.264 . . . . 72.4 110.359 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.78 124.39 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.673 -0.24 . . . . 54.52 110.805 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 25.5 t70 67.82 -58.31 0.44 Allowed 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.254 0.971 . . . . 71.2 111.179 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.84 33.62 0.03 OUTLIER Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.714 -1.355 . . . . 53.3 109.714 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -148.53 121.83 9.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.483 -0.859 . . . . 74.32 109.34 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.64 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 1.3 p -78.27 119.43 27.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.523 0.678 . . . . 62.34 110.586 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 21' ' ' LEU . 24.6 m -99.95 -178.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.972 -1.013 . . . . 73.52 111.554 -171.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -127.63 104.11 21.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.382 -0.826 . . . . 60.15 109.443 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -90.55 106.27 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.026 2.484 . . . . 75.31 112.459 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -113.98 165.47 12.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.629 . . . . 45.11 110.537 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.758 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -67.51 139.95 57.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.547 -0.297 . . . . 71.3 110.333 176.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.59 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -75.74 150.18 37.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.35 0.595 . . . . 73.44 111.032 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG12 ' C2 ' ' B' ' 3' ' ' ' A' . 12.8 p -114.36 162.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.339 -0.846 . . . . 74.12 108.952 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -56.57 132.12 50.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.116 0.484 . . . . 73.23 111.257 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.636 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -70.37 -6.35 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.629 -0.714 . . . . 74.11 110.585 175.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -88.31 -41.33 12.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.653 . . . . 74.22 110.301 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.21 -46.72 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.764 -0.653 . . . . 71.55 110.423 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.537 ' HB2' ' H22' ' B' ' 4' ' ' ' G' . 20.5 m -101.47 102.5 13.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 64.13 110.744 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 48.2 mt-30 -115.81 -51.09 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 52.3 110.073 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.649 176.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.89 H5'' ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 108.002 1.144 . 0.0 '__' . 73.42 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.695 H5'' ' CD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C4'-C3'-C2' 104.754 2.054 . 0.0 OUTLIER gamma 74.13 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.771 " H5'" ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 98.507 -3.325 . 0.09 0b . 75.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.714 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C4'-C3'-C2' 104.439 1.739 . 0.0 OUTLIER gamma 74.02 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.775 ' C8 ' ' H5 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C4'-C3'-C2' 104.822 2.122 . 0.0 OUTLIER '7D dist 6n' 74.51 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.082 " H1'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C4'-C3'-C2' 103.707 1.007 . 0.01 5q . 75.32 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 1.082 " H3'" " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-C2' 107.86 1.043 . 0.0 OUTLIER . 74.53 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.224 -0.287 . . . . 75.14 110.224 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -89.36 -41.07 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.102 0.477 . . . . 62.11 109.796 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -123.6 141.9 51.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 73.31 109.575 176.355 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.8 m -149.34 90.15 1.71 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.009 0.433 . . . . 71.22 110.91 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.72 -43.51 79.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.667 -0.864 . . . . 64.15 108.667 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -104.08 105.42 48.68 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.12 -1.067 . . . . 74.33 108.12 169.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.87 84.91 0.24 Allowed 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.736 2.29 . . . . 61.03 113.665 -172.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -84.54 81.4 8.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.398 1.094 . . . . 61.01 108.984 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -121.86 156.63 59.05 Favored Pre-proline 0 C--N 1.312 -1.051 0 CA-C-N 113.894 -1.503 . . . . 65.13 107.05 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.27 99.24 0.04 OUTLIER 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.343 2.028 . . . . 51.32 112.609 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.0 -10.3 52.5 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.911 0.862 . . . . 73.22 109.205 177.656 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.3 -51.1 71.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.56 -1.2 . . . . 71.43 110.66 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.92 -14.65 44.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.734 0.302 . . . . 72.43 111.159 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -93.81 -4.31 50.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 73.21 110.683 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 3.0 ttmp? -97.7 130.76 44.66 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.876 -0.602 . . . . 64.41 110.406 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 6.1 mt -98.43 130.79 45.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 64.3 110.371 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.526 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 17.4 t80 -90.33 110.14 21.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.793 -0.639 . . . . 74.22 109.315 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.441 HG22 HD23 ' A' ' 21' ' ' LEU . 15.8 mm -105.81 102.27 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-O 120.963 0.411 . . . . 71.53 110.373 -176.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.7 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -113.52 149.2 18.65 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.165 -1.017 . . . . 43.03 112.248 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 32.78 24.59 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.811 -0.709 . . . . 61.43 112.596 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.662 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.5 pp -96.46 168.11 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 72.34 111.649 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.427 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 30.9 t -60.73 145.04 50.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.323 -0.853 . . . . 61.52 110.727 -178.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.26 -5.33 38.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.097 0.475 . . . . 75.32 110.341 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -103.24 3.9 36.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.635 -0.711 . . . . 75.15 109.477 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.662 ' HB ' HD13 ' A' ' 21' ' ' LEU . 88.5 m -84.95 101.09 12.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.08 -0.963 . . . . 64.31 110.136 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.2 t -107.76 -172.46 2.07 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.734 -0.469 . . . . 62.05 109.734 176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -45.11 -58.36 3.28 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 123.411 0.684 . . . . 74.31 112.225 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.55 -40.15 96.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.06 -0.518 . . . . 53.33 110.99 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -65.59 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.196 0.522 . . . . 72.15 109.884 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 45' ' ' VAL . 29.3 tp -76.95 -48.52 17.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.627 -0.715 . . . . 74.53 110.328 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.0 ptp180 -63.87 -40.42 96.51 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.698 -0.401 . . . . 73.21 110.609 -174.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -66.07 -31.48 72.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.676 0.25 . . . . 61.25 111.676 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.531 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 18.6 m80 -89.85 -4.27 57.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.7 -0.4 . . . . 74.2 111.78 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -112.92 -21.38 11.16 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 53.52 111.863 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 40.2 mt-10 -73.58 11.08 0.88 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.967 0.413 . . . . 64.34 111.221 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -90.91 -18.64 24.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 75.42 110.91 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.531 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -118.83 15.51 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.216 0.531 . . . . 72.42 109.997 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.58 -170.5 38.17 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.139 -1.029 . . . . 43.01 113.505 177.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -107.94 123.86 49.27 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 122.761 0.424 . . . . 54.54 110.471 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 ' HG ' ' HG2' ' A' ' 35' ' ' GLU . 8.8 mt -92.36 109.04 20.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.066 -0.654 . . . . 73.24 110.435 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 p -78.4 -30.49 47.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.917 -0.583 . . . . 75.43 109.439 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 13.1 m-20 -140.12 92.4 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 71.4 111.12 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -109.62 137.61 47.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.709 -0.678 . . . . 65.23 109.176 175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.719 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 14.0 p -164.8 146.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.919 -0.313 . . . . 75.54 110.695 -175.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 30' ' ' LEU . 34.2 m -117.17 156.63 18.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.152 -0.314 . . . . 74.43 110.152 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.1 mmt -101.29 135.33 42.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.504 -0.554 . . . . 73.03 109.504 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.8 167.19 10.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.951 0.405 . . . . 70.43 110.134 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 15.6 t70 -73.61 139.16 77.48 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.543 -0.753 . . . . 74.4 109.306 174.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.89 -7.96 20.67 Favored 'Trans proline' 0 C--N 1.332 -0.332 0 C-N-CA 122.149 1.899 . . . . 64.01 112.844 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.45 -53.07 2.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.192 0.52 . . . . 73.43 109.855 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 p -85.11 -29.5 24.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.673 -0.694 . . . . 42.42 111.071 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.6 mmmt 68.12 23.46 7.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.508 -0.769 . . . . 73.54 110.968 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -99.71 162.06 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.907 -0.775 . . . . 71.25 108.907 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -53.09 132.4 38.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.072 0.463 . . . . 63.41 110.708 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -85.22 16.67 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.022 -0.536 . . . . 74.25 111.534 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.564 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 80.49 18.69 70.43 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 43.04 112.966 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 3.3 p90 -167.07 157.92 11.82 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.852 0.358 . . . . 62.42 110.424 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.47 -172.61 29.06 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 116.163 -0.472 . . . . 63.11 111.978 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 96.0 m-85 -132.92 151.26 52.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.696 . . . . 75.2 111.549 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -143.49 107.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.917 -1.038 . . . . 70.35 110.174 -178.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 11.0 m -100.44 113.76 26.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.686 -0.688 . . . . 74.12 110.064 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HE2' HD12 ' A' ' 16' ' ' LEU . 62.5 m-85 -80.28 174.22 11.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.048 -0.524 . . . . 70.44 110.753 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.91 -34.11 62.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.214 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 66' ' ' GLU . 3.8 t -147.38 158.37 43.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.643 -0.708 . . . . 61.4 110.234 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.24 -32.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.698 . . . . 64.41 112.803 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.4 pt-20 -63.31 -28.46 70.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.793 0.33 . . . . 70.41 111.201 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -74.27 -40.29 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.24 109.896 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 16' ' ' LEU . 24.8 t -57.81 -45.28 87.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 72.14 109.742 172.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.28 -41.07 92.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.319 -0.855 . . . . 70.33 110.871 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.3 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 51.53 110.878 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.63 74.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 55.4 110.411 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 27.7 mtt -69.56 -33.95 73.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.55 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.55 -18.27 62.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.065 0.459 . . . . 72.4 110.383 175.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.25 4.93 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.879 -0.601 . . . . 71.14 111.746 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.592 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 9.1 ptm180 -80.73 155.45 73.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.923 -0.399 . . . . 71.14 109.923 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 27.9 Cg_endo -62.22 128.19 5.54 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.472 -1.47 . . . . 73.01 112.277 0.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 27.3 t-80 -78.24 156.55 29.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 72.41 110.084 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -140.0 112.34 7.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.143 -0.48 . . . . 71.41 109.931 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.46 131.01 65.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.29 -0.413 . . . . 74.31 110.359 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 32.1 t70 69.1 -57.89 0.51 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.279 0.987 . . . . 64.11 110.935 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 170.07 29.58 0.02 OUTLIER Glycine 0 C--N 1.315 -0.617 0 N-CA-C 110.561 -1.015 . . . . 74.53 110.561 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -136.36 133.26 36.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.271 -0.465 . . . . 75.01 110.259 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 65.5 t -77.01 122.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.628 -0.508 . . . . 71.12 109.628 174.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 21' ' ' LEU . 33.1 m -119.02 167.65 12.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 75.13 111.648 -175.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.698 ' HB3' ' H3 ' ' B' ' 2' ' ' ' U' . 28.1 tt0 -117.76 106.94 45.17 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.404 -0.817 . . . . 74.04 109.488 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -92.43 106.21 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.122 2.548 . . . . 71.42 112.168 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 9.3 ptpp? -113.14 156.99 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.434 -0.348 . . . . 73.54 110.827 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.92 126.55 27.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 73.45 109.555 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.747 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -78.69 147.99 33.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.288 0.566 . . . . 33.44 111.836 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.04 135.56 28.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.375 -0.829 . . . . 54.45 109.341 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -56.04 139.7 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.813 -0.355 . . . . 62.53 110.078 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -63.0 -25.28 68.31 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.402 -0.592 . . . . 74.41 109.402 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -70.69 -36.73 73.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.264 -0.88 . . . . 73.3 110.125 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.04 -15.92 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.261 -0.881 . . . . 74.12 111.247 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -71.26 103.23 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.131 -0.486 . . . . 52.1 110.406 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.49 -65.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 64.43 110.073 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.987 -0.53 . . . . 74.25 109.572 176.85 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.564 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O4'--C4' 1.446 -0.545 0 C3'-C2'-C1' 104.073 2.859 OUTLIER-DELTA 0.0 '__' . 74.21 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.7 ' C2 ' ' HA3' ' A' ' 19' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C4'-C3'-C2' 103.867 1.167 . 0.0 OUTLIER gamma 72.51 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.747 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 C3'-C2'-C1' 98.419 -3.423 . 0.0 OUTLIER gamma 73.11 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.623 ' O6 ' ' HB1' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.976 1 C3'-C2'-C1' 97.031 -4.966 . 0.0 OUTLIER alpha 74.44 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.719 ' C4 ' HG11 ' A' ' 44' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 102.861 -1.885 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.731 " O3'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-C2' 107.559 0.828 . 0.0 OUTLIER gamma 73.04 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.731 " H3'" " O3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 108.197 1.284 . 0.0 OUTLIER . 72.41 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.426 0.155 . . . . 73.22 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -82.24 -20.77 36.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 74.21 110.891 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -69.97 150.08 47.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.993 -0.743 . . . . 62.15 108.993 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -56.19 -36.94 68.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 52.32 112.187 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -135.85 -176.71 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.119 0.485 . . . . 62.41 111.348 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.702 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 29.7 t -161.0 -57.98 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.403 -0.817 . . . . 65.32 110.82 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 6' ' ' SER . 85.9 Cg_endo -98.42 0.15 1.21 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.552 2.168 . . . . 73.32 114.82 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 14' ' ' ARG . 5.9 mptp? 61.71 -85.31 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.795 0.438 . . . . 74.35 110.282 -170.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.935 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 18.6 mm-40 85.94 -89.35 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.097 1.359 . . . . 74.33 113.563 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.935 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 15.9 Cg_endo -93.22 114.08 0.26 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 121.93 1.754 . . . . 73.43 113.498 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.04 -32.27 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.92 -0.582 . . . . 73.51 110.424 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -56.36 -58.4 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 64.44 111.849 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 10' ' ' PRO . 3.9 pp -80.36 -7.84 59.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.273 . . . . 75.35 111.64 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 8' ' ' LYS . 70.5 mtt180 -103.32 -2.24 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.037 0.446 . . . . 74.5 110.681 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HE2' ' HB1' ' A' ' 89' ' ' ALA . 7.2 ttpm? -103.11 135.17 45.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.811 -0.631 . . . . 51.44 110.09 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.13 128.59 53.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.731 -0.668 . . . . 63.24 110.201 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.651 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 17.4 t80 -87.86 120.19 28.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.922 -0.581 . . . . 74.53 109.508 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.58 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.1 mm -111.94 93.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.374 -0.376 . . . . 71.24 110.142 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 146.61 16.54 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.156 -1.021 . . . . 71.53 111.849 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.729 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 94.95 23.03 21.61 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.779 . . . . 25.41 112.534 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.0 pp -91.54 164.54 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.173 -0.306 . . . . 71.21 110.173 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 m -75.33 164.33 26.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.298 -0.41 . . . . 63.34 111.185 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.597 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 60.5 m-85 -76.49 -5.61 48.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.607 0.718 . . . . 61.41 109.586 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.32 -17.6 32.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.703 -1.135 . . . . 70.24 109.436 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.681 ' HB ' HD13 ' A' ' 21' ' ' LEU . 94.6 m -74.46 115.02 13.52 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.121 -0.945 . . . . 70.12 110.771 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.3 t -118.35 171.56 8.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.318 -0.856 . . . . 74.35 109.389 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -48.09 43.27 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.605 0.362 . . . . 74.54 111.653 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.3 pt-20 -64.65 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 70.43 111.533 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -82.62 -29.13 30.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.218 -0.593 . . . . 65.01 109.765 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 18' ' ' ILE . 2.8 tm? -71.21 -52.13 20.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.942 -0.572 . . . . 52.21 109.815 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 3.8 ptm180 -67.38 -38.43 84.72 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.475 -0.49 . . . . 74.01 110.761 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -62.01 -32.43 72.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.698 0.285 . . . . 72.33 111.162 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.412 ' CE1' ' H ' ' A' ' 80' ' ' ASP . 21.7 m80 -72.41 -44.54 62.32 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.894 -0.322 . . . . 61.14 110.522 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 50.4 m-85 -80.13 -13.08 59.55 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.49 0.552 . . . . 74.35 112.49 -175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 34.5 mt-10 -76.74 3.3 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.073 0.463 . . . . 63.23 111.124 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.4 mt-30 -80.08 -33.7 38.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.231 -0.44 . . . . 60.11 110.841 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.3 m-90 -105.83 10.49 32.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.334 -0.394 . . . . 75.3 110.553 -178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.611 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 168.11 -174.83 42.99 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.093 -1.051 . . . . 65.11 113.497 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 39.7 m -108.89 120.8 43.59 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 122.536 0.334 . . . . 53.4 110.466 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.0 mt -89.56 103.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.016 0.436 . . . . 72.32 110.341 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.7 p -71.33 -28.72 64.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.639 -0.709 . . . . 63.01 109.969 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 33.5 t70 -139.08 107.64 5.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 75.34 110.247 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.538 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 31.3 p -113.65 149.6 34.4 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.815 -0.439 . . . . 51.33 109.815 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.629 HG21 " H1'" ' B' ' 5' ' ' ' G' . 12.9 p -173.19 140.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.214 0.53 . . . . 72.4 111.018 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -120.61 139.72 47.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.579 . . . . 75.22 109.779 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 1.2 mpt? -83.36 137.02 34.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.092 -0.503 . . . . 63.32 110.275 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 53' ' ' ARG . 10.9 mmt180 -107.27 150.8 26.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.934 -0.576 . . . . 65.21 109.793 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 9.8 t70 -58.84 135.71 87.03 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.547 -0.751 . . . . 63.32 109.231 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.09 -14.56 44.95 Favored 'Trans proline' 0 C--N 1.332 -0.296 0 C-N-CA 122.119 1.88 . . . . 64.41 112.47 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -105.15 -56.34 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.432 . . . . 71.3 110.185 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -79.71 -30.51 41.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 54.52 110.889 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.9 mmmt 63.75 25.42 14.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.577 -0.738 . . . . 73.43 110.901 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 9.1 mpt_? -94.16 -73.09 0.58 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.072 -0.513 . . . . 73.53 110.441 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 33.9 t -157.74 153.34 26.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.143 -0.48 . . . . 63.12 109.721 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 62.6 mtt180 -99.75 -2.55 34.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.381 -0.372 . . . . 73.3 111.268 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.678 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.55 16.7 59.79 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.31 -0.948 . . . . 74.21 112.262 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.751 ' CE1' H5'' ' B' ' 3' ' ' ' A' . 27.9 p90 -164.2 161.25 22.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.02 0.438 . . . . 71.52 110.951 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.39 -176.84 31.9 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.525 -0.762 . . . . 71.44 111.315 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 46' ' ' MET . 92.1 m-85 -135.04 152.46 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.197 0.522 . . . . 54.43 111.242 -178.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -146.59 113.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.367 -0.833 . . . . 60.21 110.846 -179.435 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 27.8 m -97.01 121.6 39.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.588 -0.733 . . . . 72.45 109.417 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.38 173.53 10.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.123 0.487 . . . . 72.2 111.288 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -38.52 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 74.2 109.469 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.5 t -141.29 156.19 45.9 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.643 -0.708 . . . . 71.12 109.869 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.91 -22.72 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 44.31 111.0 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.96 -38.51 76.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 70.42 110.497 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.636 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.6 mt-10 -74.13 -38.41 63.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.765 -0.652 . . . . 73.14 110.417 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.617 HG13 HD13 ' A' ' 16' ' ' LEU . 31.4 t -54.97 -45.84 76.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.792 -0.64 . . . . 74.15 110.545 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.65 -46.3 87.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 74.31 110.721 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.08 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 73.35 111.251 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.11 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 64.23 110.904 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.511 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 38.7 mtt -68.35 -41.26 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.531 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.42 -14.25 62.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.265 -0.425 . . . . 52.3 110.864 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.6 18.88 2.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.966 -0.561 . . . . 51.44 111.536 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -83.5 150.84 60.93 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.232 -0.284 . . . . 74.23 110.232 177.209 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 14.5 Cg_exo -68.81 120.9 4.56 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.568 -1.43 . . . . 61.32 111.494 -2.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.536 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 43.1 t-80 -72.68 142.3 48.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.217 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.82 115.37 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.896 0.379 . . . . 73.22 110.841 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' PHE . 86.3 t -127.43 122.77 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 52.53 109.849 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 25' ' ' THR . 3.2 m-20 63.39 22.56 13.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.781 0.432 . . . . 42.54 111.651 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.97 14.35 79.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 64.21 111.739 -176.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -115.98 129.94 56.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.909 -0.404 . . . . 74.34 109.909 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.11 106.33 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.896 0.379 . . . . 64.4 110.14 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.7 m -95.75 178.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.294 -0.412 . . . . 54.42 110.528 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.88 95.04 17.65 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 61.13 110.051 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 69.7 Cg_endo -81.56 120.59 3.58 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.836 2.357 . . . . 64.43 112.284 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -134.26 164.51 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 72.1 110.58 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 118.29 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 74.21 109.542 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HA ' ' C2 ' ' B' ' 3' ' ' ' A' . . . -76.97 104.94 7.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 52.31 111.757 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.0 t -56.62 141.24 13.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.377 -0.829 . . . . 74.4 110.65 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.48 ' HB3' ' OE2' ' A' ' 93' ' ' GLU . 50.1 m -49.38 132.43 20.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.96 0.41 . . . . 60.11 111.625 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -64.51 -16.79 63.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.98 -0.554 . . . . 73.52 110.802 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' OE2' ' HB3' ' A' ' 91' ' ' SER . 9.1 mp0 -64.51 -43.56 93.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 51.34 109.956 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.85 -46.38 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.509 -0.769 . . . . 73.13 111.219 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.67 ' HB2' ' N2 ' ' B' ' 4' ' ' ' G' . 15.5 m -110.89 101.73 10.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.049 -0.523 . . . . 71.13 111.484 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.74 -25.9 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.239 0.543 . . . . 73.44 110.401 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.902 0 CA-C-O 117.823 -1.084 . . . . 74.32 110.489 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.822 " H3'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 O4'-C1'-C2' 107.937 1.098 . 0.0 '__' . 70.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.822 H5'' " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C4'-C3'-C2' 104.18 1.48 . 0.0 OUTLIER . 75.5 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.916 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 C3'-C2'-C1' 98.722 -3.087 . 0.0 OUTLIER gamma 75.01 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.916 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C1'-O4'-C4' 106.918 -2.98 OUTLIER-DELTA 0.0 OUTLIER delta 75.53 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 1.091 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C4'-C3'-C2' 103.767 1.067 . 0.0 OUTLIER delta-1 75.14 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.091 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C4'-C3'-C2' 103.638 0.938 . 0.0 OUTLIER alpha 71.11 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.992 ' C6 ' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 107.897 1.069 . 0.0 OUTLIER . 74.12 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.231 -0.285 . . . . 52.34 110.231 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -89.87 115.01 26.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.153 0.501 . . . . 73.23 109.826 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.6 -177.85 4.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.955 -0.566 . . . . 75.33 109.753 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 8' ' ' LYS . 45.4 m -86.44 114.12 22.94 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.817 -0.438 . . . . 44.43 109.817 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.38 118.44 12.26 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.577 -0.527 . . . . 65.24 109.577 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m 67.44 132.01 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.236 0 O-C-N 124.087 0.867 . . . . 61.54 109.435 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.43 105.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.316 2.678 . . . . 61.2 112.232 -176.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.722 ' HB2' ' HB3' ' A' ' 4' ' ' SER . 0.9 OUTLIER -82.1 89.49 6.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.948 0.88 . . . . 74.15 109.257 -176.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' OE1' ' HD3' ' A' ' 14' ' ' ARG . 40.1 tt0 -140.89 124.28 10.07 Favored Pre-proline 0 C--N 1.306 -1.293 0 CA-C-N 114.218 -1.355 . . . . 73.22 107.989 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.2 Cg_endo -43.67 108.34 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.51 2.807 . . . . 75.23 112.978 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.569 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 -61.59 -22.38 65.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 75.32 110.174 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -51.74 -61.0 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.454 -0.793 . . . . 35.05 112.145 176.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -81.75 -6.78 59.35 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.703 -0.399 . . . . 73.1 111.143 -172.521 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 46.5 mtm180 -94.57 -10.98 30.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.231 0.538 . . . . 73.2 109.656 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -95.03 139.42 31.41 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.503 -0.771 . . . . 74.11 109.715 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -110.12 128.06 55.24 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.436 -0.802 . . . . 63.32 109.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CE2' " H5'" ' B' ' 3' ' ' ' A' . 25.8 t80 -84.65 109.48 18.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 74.13 109.477 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG22 HD23 ' A' ' 21' ' ' LEU . 19.7 mm -106.43 103.21 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.055 -0.521 . . . . 74.34 110.466 -174.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.695 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -119.49 157.86 15.3 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.066 -1.064 . . . . 70.21 111.864 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.713 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 83.47 27.81 38.15 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.65 -0.785 . . . . 22.51 112.086 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.59 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.7 pp -96.14 -179.92 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 72.11 110.986 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -81.59 151.9 27.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.658 -0.701 . . . . 73.25 110.818 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.04 -6.99 49.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 74.43 110.148 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.597 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 14.8 mt-10 -92.15 -9.82 41.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.391 -0.822 . . . . 72.12 109.062 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 21' ' ' LEU . 28.5 m -74.46 114.03 12.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.185 -0.916 . . . . 71.24 109.993 175.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -119.92 -178.06 3.56 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 74.13 109.398 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.73 -51.26 29.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.139 0.422 . . . . 74.41 112.139 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.73 -36.62 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.392 -0.367 . . . . 63.34 111.216 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -70.07 -37.6 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.311 0.577 . . . . 73.14 109.57 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.34 -53.47 35.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.257 -0.883 . . . . 60.11 109.707 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.1 ptm180 -67.64 -42.0 82.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.276 -0.57 . . . . 74.25 110.953 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 m -64.18 -35.14 79.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.774 0.321 . . . . 75.05 111.486 -176.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB3' HG22 ' A' ' 79' ' ' VAL . 14.0 m80 -79.87 -12.98 59.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.522 -0.308 . . . . 72.43 111.721 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 79' ' ' VAL . 27.2 m-85 -108.58 -21.69 12.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.542 0.571 . . . . 74.45 112.542 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.686 ' HG2' HD13 ' A' ' 40' ' ' LEU . 48.5 mt-10 -75.15 15.01 0.47 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.117 0.484 . . . . 75.12 111.215 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 53.7 mt-30 -87.12 -32.87 19.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.918 -0.583 . . . . 70.41 110.692 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.2 m-90 -104.25 11.09 35.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.897 -0.592 . . . . 72.31 110.602 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.534 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.19 -166.97 39.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.416 -0.897 . . . . 62.24 112.689 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 121.9 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.371 0.269 . . . . 73.31 110.42 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.686 HD13 ' HG2' ' A' ' 35' ' ' GLU . 3.4 mp -90.47 114.64 26.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.47 -0.492 . . . . 72.31 109.883 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.89 -24.26 35.8 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.658 0.742 . . . . 75.14 109.374 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.578 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 6.8 m-20 -141.95 130.26 22.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.509 -1.223 . . . . 72.43 108.935 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.9 p -144.99 142.6 29.94 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.159 -0.682 . . . . 61.25 109.159 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.678 HG21 " H1'" ' B' ' 5' ' ' ' G' . 8.7 p -166.92 152.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.317 0.579 . . . . 63.34 111.737 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 60.4 t -121.34 140.3 45.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.046 -1.094 . . . . 74.43 108.046 169.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.69 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 22.8 mmt -81.97 138.65 34.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.058 -0.719 . . . . 70.14 109.058 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.551 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -111.13 158.42 18.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.349 -0.387 . . . . 64.34 110.686 -173.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.4 t70 -60.79 137.68 93.35 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.035 -0.728 . . . . 71.42 109.035 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.25 -15.32 47.87 Favored 'Trans proline' 0 C--N 1.333 -0.246 0 C-N-CA 122.338 2.025 . . . . 75.52 112.348 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -107.03 -50.45 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 64.32 110.489 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.7 p -88.39 -31.12 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.55 111.695 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 14.8 mmmm 64.54 30.24 12.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.815 -0.63 . . . . 73.22 111.771 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.64 -75.34 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.261 -0.575 . . . . 73.32 110.844 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -158.13 144.12 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.071 0.462 . . . . 72.23 111.212 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.837 ' HE ' ' HE2' ' A' ' 57' ' ' PHE . 5.7 mtp180 -102.44 11.97 37.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.938 -0.573 . . . . 73.54 110.953 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.746 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 79.09 19.39 72.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.31 113.384 174.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.837 ' HE2' ' HE ' ' A' ' 55' ' ' ARG . 15.8 p90 -166.14 161.36 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 74.13 110.266 176.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.36 -168.05 20.05 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.161 -0.542 . . . . 64.14 112.223 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.88 153.96 50.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.242 0.544 . . . . 71.33 110.773 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.686 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.0 p -147.15 124.72 3.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.35 -0.841 . . . . 75.52 110.044 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.578 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 6.8 m -115.98 117.86 31.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.405 -0.361 . . . . 75.42 110.268 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 70.1 m-85 -83.99 172.69 11.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.029 -0.532 . . . . 75.25 110.698 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.44 65.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.502 0.667 . . . . 73.03 109.815 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.2 t -148.57 155.36 41.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.939 -1.028 . . . . 64.12 109.493 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -64.78 -18.65 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.283 -0.417 . . . . 74.32 111.846 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -63.55 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.457 . . . . 72.54 110.485 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.8 mt-10 -77.96 -33.92 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.959 -0.564 . . . . 72.0 109.651 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 16' ' ' LEU . 16.2 t -59.28 -44.96 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.532 -0.758 . . . . 63.54 110.106 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.52 -45.76 84.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 64.31 110.5 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.43 89.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 71.13 111.173 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.91 85.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 44.41 110.884 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 42.0 mtt -64.3 -45.12 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.085 0.469 . . . . 70.24 110.511 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -69.75 -12.69 61.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 75.41 110.981 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.84 -6.07 59.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 63.31 111.172 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.621 ' HG2' ' HA ' ' A' ' 76' ' ' PRO . 7.0 tmm_? -56.53 138.74 75.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 62.15 110.506 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.621 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 10.6 Cg_exo -71.14 126.74 10.99 Favored 'Cis proline' 0 C--N 1.35 0.628 0 C-N-CA 123.839 -1.317 . . . . 63.04 112.904 1.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 38.0 t-80 -80.37 153.36 28.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.296 -0.865 . . . . 64.53 110.092 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -132.74 116.63 16.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.786 0.327 . . . . 73.31 110.421 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 33' ' ' HIS . 93.4 t -129.9 120.07 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.445 . . . . 34.42 110.143 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.597 ' OD2' ' HB2' ' A' ' 24' ' ' GLU . 18.2 t70 60.67 35.82 19.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.406 0.622 . . . . 74.34 110.892 177.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.87 14.18 80.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.901 -0.666 . . . . 62.43 112.423 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -124.13 134.02 53.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.25 -0.278 . . . . 73.52 110.25 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.64 113.49 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.48 -0.563 . . . . 53.41 109.48 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 21' ' ' LEU . 29.0 m -99.89 159.43 3.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.638 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' HB3' ' H3 ' ' B' ' 2' ' ' ' U' . 38.4 tt0 -115.56 101.67 54.25 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.068 -0.515 . . . . 72.22 109.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HB2' HD21 ' A' ' 16' ' ' LEU . 56.3 Cg_endo -92.52 113.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.388 2.726 . . . . 71.12 113.013 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -124.0 162.18 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.32 110.234 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.07 136.01 57.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.18 -0.304 . . . . 75.12 110.18 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.658 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.97 164.67 22.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.475 0.655 . . . . 52.23 112.023 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.0 t -112.79 150.94 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.054 -0.975 . . . . 75.22 109.192 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -58.04 130.79 48.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.627 -0.509 . . . . 74.12 109.627 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.493 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -63.21 -32.66 74.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.411 -0.358 . . . . 75.55 110.914 -173.351 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.21 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 71.23 110.132 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.56 -41.7 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 74.33 110.846 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -80.9 -18.99 45.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.282 -0.872 . . . . 53.42 110.869 -170.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 92' ' ' ARG . 16.2 mm100 -71.86 94.77 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 74.31 110.537 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.749 -0.643 . . . . 73.31 109.668 177.631 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.855 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 102.651 1.279 . 0.0 '__' . 71.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.855 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 103.47 0.77 . 0.0 OUTLIER . 60.42 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.734 H5'' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 C3'-C2'-C1' 103.003 1.67 . 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.69 " H1'" ' HE1' ' A' ' 46' ' ' MET . . . . . . . . 0 O5'--C5' 1.421 -1.196 0 C1'-O4'-C4' 107.576 -2.248 . 0.0 OUTLIER gamma 71.42 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.805 " H5'" ' H6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.048 0 C4'-C3'-C2' 103.78 1.08 . 0.0 OUTLIER gamma 71.41 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.805 ' H6 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C3'-C2'-C1' 100.584 -1.018 . 0.0 OUTLIER alpha 74.54 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.668 ' C5 ' " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O4'-C1'-C2' 107.597 0.855 . 0.0 OUTLIER gamma 70.21 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.937 0.398 . . . . 60.32 110.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -94.89 105.94 17.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.063 -0.517 . . . . 74.53 110.269 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -79.59 148.03 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.763 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.1 t -90.53 -41.79 11.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.018 -0.734 . . . . 51.34 109.018 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -107.03 111.48 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 71.35 110.523 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 54.0 m -80.94 116.24 61.12 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.921 -0.581 . . . . 72.01 110.045 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 6' ' ' SER . 5.7 Cg_exo -78.53 0.7 9.71 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 123.113 2.542 . . . . 72.4 112.389 -177.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.864 ' HA ' ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -84.44 70.13 10.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.454 0.645 . . . . 61.5 111.746 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.925 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 34.4 mt-10 -64.35 -58.26 14.57 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 64.44 109.931 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.925 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 25.8 Cg_endo -90.13 104.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.048 1.832 . . . . 72.05 110.846 170.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 -70.35 -24.72 63.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.9 -0.591 . . . . 74.01 110.054 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -55.92 -57.98 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.031 0.443 . . . . 64.04 111.18 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -82.27 -9.86 59.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 74.12 111.785 -170.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.864 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 37.9 mtt85 -104.16 -2.2 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.482 -0.327 . . . . 72.45 110.874 177.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.3 ttmm -95.54 139.72 31.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.259 0.552 . . . . 65.35 109.861 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD13 HG13 ' A' ' 68' ' ' VAL . 10.8 tp -106.11 125.87 51.51 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.512 -0.767 . . . . 62.14 109.968 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 41.5 t80 -87.28 120.59 28.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.926 -0.579 . . . . 73.11 109.623 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.476 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.7 mm -112.32 96.92 5.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.31 -0.405 . . . . 75.24 110.54 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.8 146.01 16.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.378 -0.915 . . . . 71.32 111.638 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.605 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 97.96 14.72 38.71 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.754 -0.736 . . . . 72.23 112.797 176.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -86.65 165.76 15.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.791 0.296 . . . . 74.11 110.688 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -79.08 172.81 13.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 61.13 111.132 -173.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.745 ' HA ' ' OG ' ' A' ' 54' ' ' SER . 50.8 m-85 -82.54 -2.38 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.557 0.694 . . . . 64.41 109.563 175.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -98.23 -7.11 29.87 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.099 -0.955 . . . . 73.42 109.104 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.663 ' HB ' HD13 ' A' ' 21' ' ' LEU . 50.1 m -77.21 93.8 4.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.385 -0.825 . . . . 65.02 110.324 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.8 t -95.52 168.81 10.46 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.907 -0.588 . . . . 74.34 109.591 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.528 ' HA ' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -41.48 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 74.34 111.329 -172.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.2 pt-20 -64.91 -39.15 93.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 72.23 110.852 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -70.47 -37.47 74.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 64.44 109.958 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 45' ' ' VAL . 29.6 tp -65.14 -54.01 36.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.462 -0.79 . . . . 71.43 110.432 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 4.6 ptp180 -60.59 -38.0 83.2 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.421 -0.354 . . . . 74.34 110.192 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.3 m -61.19 -39.42 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 72.22 111.186 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.4 m170 -84.5 -4.97 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.838 0.31 . . . . 75.52 111.838 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' CE2' HG21 ' A' ' 79' ' ' VAL . 41.9 m-85 -111.57 -17.65 13.0 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.609 -0.436 . . . . 74.12 111.882 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 57.7 mt-10 -75.78 4.05 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.48 . . . . 73.41 110.419 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 62.6 mt-30 -75.2 -43.82 49.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.972 -0.558 . . . . 73.34 110.976 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 26.2 m-90 -99.82 5.2 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 74.14 111.244 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.547 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 174.77 -179.13 46.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.082 -1.056 . . . . 72.21 113.275 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -101.24 124.24 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.365 0.266 . . . . 73.23 110.91 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD22 HG23 ' A' ' 60' ' ' VAL . 8.5 mt -90.75 111.38 22.73 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.304 -0.558 . . . . 71.13 110.14 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -76.51 -24.48 53.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.663 0.744 . . . . 65.23 109.146 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.69 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 17.0 t70 -144.43 146.41 32.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.606 -1.179 . . . . 70.23 109.131 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.0 t -169.84 141.71 2.3 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.213 -0.662 . . . . 54.0 109.213 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 12.6 p -169.53 148.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.883 -0.414 . . . . 42.01 109.883 -177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 27' ' ' ASP . 27.8 m -106.74 157.28 7.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.935 -0.395 . . . . 74.35 109.935 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.514 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 21.9 mmt -92.55 140.12 29.88 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.468 -0.938 . . . . 65.23 108.468 173.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -120.5 152.53 37.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.288 0.566 . . . . 71.21 110.846 -174.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.94 138.13 96.23 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.089 -0.959 . . . . 73.44 109.508 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.47 -18.48 59.84 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.161 1.907 . . . . 55.11 112.215 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.22 -56.86 2.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.338 -0.392 . . . . 74.32 110.378 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' HB ' ' HD3' ' A' ' 53' ' ' ARG . 16.7 p -77.59 -31.62 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 71.41 111.198 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 2.4 mmmp? 63.12 30.28 16.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.198 -0.456 . . . . 63.44 110.384 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 11.4 mpt_? -92.92 -80.49 0.37 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 70.33 109.555 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.745 ' OG ' ' HA ' ' A' ' 23' ' ' PHE . 53.4 p -156.05 -177.53 6.64 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.561 -0.903 . . . . 74.34 108.561 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.54 ' NH2' H5'' ' B' ' 4' ' ' ' G' . 10.6 mtm-85 -122.16 16.06 10.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.902 0.382 . . . . 71.43 110.759 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.714 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 80.76 7.4 88.61 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.558 -0.83 . . . . 71.13 112.398 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.874 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 19.3 p90 -159.33 160.23 34.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.239 0.542 . . . . 74.33 111.549 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.45 -175.13 29.03 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.321 -0.854 . . . . 70.31 111.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE2' ' HE3' ' A' ' 46' ' ' MET . 92.3 m-85 -135.72 153.61 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.597 0.713 . . . . 75.32 111.78 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.646 HG13 ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -150.05 116.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 75.21 108.934 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.69 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.3 m -104.95 115.35 30.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.697 -0.483 . . . . 62.11 109.697 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -75.67 -178.66 4.29 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.88 0.372 . . . . 72.41 110.677 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.62 -36.96 28.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.087 -0.708 . . . . 64.01 109.087 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.5 t -144.87 154.44 42.63 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.416 -0.811 . . . . 71.32 110.619 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.54 -29.36 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.826 0.676 . . . . 70.25 112.826 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.16 -20.08 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 70.13 111.345 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 64' ' ' THR . 25.0 mt-10 -83.23 -38.63 21.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.426 -0.583 . . . . 73.42 109.426 175.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG13 HD13 ' A' ' 16' ' ' LEU . 24.7 t -56.98 -52.32 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.329 -0.85 . . . . 63.33 110.282 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -63.57 -33.25 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.772 -0.649 . . . . 61.21 110.948 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.6 98.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 52.32 110.394 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.72 78.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 71.34 110.172 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.1 mtt -69.13 -33.73 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.576 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.2 -13.02 61.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.955 0.407 . . . . 63.1 110.694 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.41 16.45 18.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 74.35 111.293 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 8.3 ptm180 -79.3 150.5 74.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 75.11 110.296 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.6 Cg_exo -69.82 123.88 7.2 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.729 -1.363 . . . . 74.22 112.265 0.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.47 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -71.64 149.89 45.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 75.0 110.253 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 112.0 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.706 0.289 . . . . 64.51 110.724 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 34' ' ' PHE . 89.9 t -123.01 122.64 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.431 . . . . 72.32 109.96 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 30.9 t70 60.84 31.18 20.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.536 0.684 . . . . 35.12 110.314 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.37 23.34 77.52 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.601 -0.809 . . . . 75.42 111.752 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -122.53 128.33 50.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.969 -0.382 . . . . 63.24 109.969 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.66 106.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.871 -0.418 . . . . 73.21 109.871 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.8 m -100.24 169.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.819 0.342 . . . . 74.41 110.661 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -125.09 104.76 29.25 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 116.182 -0.463 . . . . 75.25 109.806 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HB2' HD21 ' A' ' 16' ' ' LEU . 42.0 Cg_endo -91.56 113.48 0.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.546 2.831 . . . . 52.11 112.84 -177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -123.7 161.26 25.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 74.14 110.916 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.46 126.9 28.92 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.915 -0.402 . . . . 71.11 109.915 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -71.81 154.7 41.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.219 0.533 . . . . 71.42 112.009 -176.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.83 142.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.534 -0.757 . . . . 63.33 109.385 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -54.92 123.1 12.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.964 0.411 . . . . 61.34 111.377 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.645 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.288 0.566 . . . . 73.3 109.973 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -65.22 -40.69 94.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 73.22 109.897 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.12 -39.96 53.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.634 -0.712 . . . . 73.03 110.26 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 92' ' ' ARG . 29.0 t -58.5 -46.95 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.188 -0.914 . . . . 72.31 111.047 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 42.89 36.62 0.91 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.877 0.871 . . . . 62.43 111.749 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.087 -0.961 . . . . 73.35 109.613 -176.701 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.856 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O5'-C5'-C4' 111.475 0.911 . 0.0 '__' . 75.2 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.874 H5'' ' HD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-C1' 100.254 -1.385 . 0.0 OUTLIER gamma 73.44 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.761 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 C3'-C2'-C1' 100.098 -1.558 . 0.0 OUTLIER . 65.01 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.761 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C1'-O4'-C4' 106.907 -2.992 OUTLIER-DELTA 0.0 OUTLIER delta 73.14 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.767 ' C4 ' HG11 ' A' ' 44' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C4'-C3'-C2' 104.452 1.752 . 0.0 OUTLIER delta-1 74.11 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.706 ' H5 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 108.059 1.185 . 0.0 OUTLIER gamma 72.02 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.589 ' H6 ' " O4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 104.105 -0.996 . 0.0 OUTLIER . 74.41 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.644 0.259 . . . . 61.14 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -75.98 139.31 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.501 -0.318 . . . . 75.21 110.619 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm 59.23 55.67 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.594 -0.73 . . . . 74.33 110.231 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -98.37 148.92 23.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.657 -0.701 . . . . 62.44 109.449 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.3 mm-40 -73.98 82.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 73.43 110.884 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 m -94.01 105.03 15.1 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 53.31 109.477 174.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 5.1 Cg_exo -77.64 107.3 2.35 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.904 2.403 . . . . 74.42 111.465 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -139.8 111.52 7.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.69 0.757 . . . . 73.0 110.49 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.01 134.8 70.96 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 108.944 -0.761 . . . . 75.21 108.944 174.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.556 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 86.3 Cg_exo -41.32 113.96 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.644 2.896 . . . . 61.21 113.52 -172.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.26 -38.98 77.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 74.13 110.053 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 9.5 tt0 -56.26 -47.76 77.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.67 . . . . 72.23 111.887 175.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -78.4 -18.17 55.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 71.42 111.847 -172.726 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.503 ' HG3' HD23 ' A' ' 13' ' ' LEU . 74.6 mtm180 -95.06 -15.23 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 72.41 110.731 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 2.8 ttmp? -81.2 129.89 34.78 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.26 0.553 . . . . 45.21 111.365 175.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HE2' ' A' ' 62' ' ' TYR . 7.8 mt -92.93 131.16 38.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.583 -0.735 . . . . 72.13 110.656 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 28.9 t80 -89.97 113.49 25.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.965 -0.754 . . . . 73.1 108.965 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.9 mm -108.77 97.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.253 -0.43 . . . . 73.54 110.251 -176.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.38 146.02 16.42 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.296 -0.954 . . . . 71.34 112.045 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.749 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 88.11 32.85 11.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.792 -0.718 . . . . 75.41 112.445 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 pp -97.67 175.38 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.061 0.457 . . . . 63.33 111.293 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.6 t -74.11 155.28 38.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.63 -0.714 . . . . 65.24 110.828 -175.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.2 -2.78 39.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.109 0.48 . . . . 70.01 110.004 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.14 -9.9 27.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.348 -0.612 . . . . 71.33 109.348 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 45.6 m -70.94 92.56 0.93 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.506 -0.77 . . . . 65.11 110.6 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -93.15 172.34 8.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 72.35 110.212 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 17.4 t70 -51.23 -56.18 14.22 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.016 0.526 . . . . 74.44 111.772 -174.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.09 -37.22 79.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 75.24 111.06 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -70.81 -36.7 73.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.184 0.516 . . . . 72.35 109.693 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 HG12 ' A' ' 45' ' ' VAL . 45.3 tp -66.63 -52.36 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 65.25 110.143 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 16.0 ptt180 -63.83 -37.42 87.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.506 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -61.5 -36.91 81.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 74.35 111.193 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.416 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 63.6 m80 -81.26 -12.52 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 70.43 111.322 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 39.1 m-85 -106.25 -14.86 15.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.219 0.451 . . . . 75.31 112.219 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.1 mt-10 -67.93 -1.26 5.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.063 0.459 . . . . 75.44 111.167 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -83.58 -20.8 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.117 -0.492 . . . . 75.23 112.042 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -116.86 12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.902 0.382 . . . . 72.1 110.207 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 160.5 -168.64 36.06 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.996 -1.097 . . . . 70.42 113.77 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -107.18 127.49 53.56 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.898 0.479 . . . . 54.0 110.759 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.614 ' HG ' ' CG2' ' A' ' 60' ' ' VAL . 1.1 mm? -91.84 113.32 25.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.862 -0.735 . . . . 72.34 111.538 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -85.51 -21.15 28.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.14 -0.936 . . . . 73.44 110.65 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 37.1 t70 -149.18 90.94 1.79 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 74.24 111.183 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.9 p -110.4 145.81 36.93 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.696 -0.483 . . . . 64.32 109.696 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG21 ' C4 ' ' B' ' 5' ' ' ' G' . 7.6 p -169.08 137.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 74.15 110.952 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 30' ' ' LEU . 34.6 m -110.56 148.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.134 0.493 . . . . 63.5 110.697 175.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.479 ' HE2' ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -100.34 140.86 33.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.387 -0.824 . . . . 74.33 109.886 -179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 16.6 mtp180 -124.07 155.98 37.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.665 -0.698 . . . . 74.5 110.068 -173.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.585 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.0 t70 -55.56 137.61 69.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.38 . . . . 75.22 110.137 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.52 -15.63 41.85 Favored 'Trans proline' 0 C--N 1.331 -0.363 0 C-N-CA 122.218 1.946 . . . . 74.42 112.473 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -106.9 -54.5 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.469 . . . . 70.25 110.188 -176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 p -82.75 -27.79 30.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 63.01 110.749 -177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.1 mmmt 63.61 31.45 14.58 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.299 -0.864 . . . . 65.55 111.063 -177.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -92.43 -80.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.427 -0.351 . . . . 63.31 110.996 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.594 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 69.6 m -157.52 145.25 18.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 65.45 111.018 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -91.52 -4.01 55.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.629 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.73 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 84.64 20.09 58.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.362 -0.923 . . . . 72.21 112.222 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.901 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 10.4 p90 -162.95 166.68 23.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 74.22 110.174 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.58 -178.97 39.54 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.823 -0.911 . . . . 73.12 110.823 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 97.1 m-85 -126.63 148.54 49.79 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.3 0.571 . . . . 65.45 110.708 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.614 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 13.0 p -144.26 100.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 122.114 0.959 . . . . 75.14 110.112 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 9.4 m -94.56 125.26 39.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 61.44 110.167 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.495 ' HE2' HD12 ' A' ' 16' ' ' LEU . 51.1 m-85 -86.42 177.57 7.39 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.874 0.369 . . . . 75.32 110.823 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.58 -35.86 60.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.491 0.663 . . . . 54.32 109.688 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 7.8 t -143.61 155.79 44.38 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.149 -0.932 . . . . 42.41 109.815 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.13 -29.52 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.809 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.59 -35.57 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 74.03 111.511 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.3 mt-10 -76.66 -37.5 56.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.086 0.469 . . . . 62.23 110.095 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 72' ' ' MET . 37.7 t -58.93 -52.2 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.711 -0.677 . . . . 71.12 110.593 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.53 74.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.584 . . . . 72.34 110.63 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.41 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 75.42 110.541 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.13 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.44 110.28 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.0 mtt -66.82 -43.92 82.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 70.31 110.618 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -65.25 -24.19 67.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 62.21 110.793 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 7.11 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.79 -0.641 . . . . 52.22 112.059 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ptt-85 -66.98 149.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 65.34 110.309 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.57 129.74 17.95 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.528 -1.447 . . . . 75.32 113.017 2.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 20.1 t-80 -74.97 161.09 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.703 -0.68 . . . . 73.54 110.294 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -146.62 112.18 5.59 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.61 -0.515 . . . . 74.25 109.61 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -129.03 131.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.875 -0.417 . . . . 73.31 109.875 177.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 79' ' ' VAL . 19.0 t70 71.79 -57.17 0.62 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.173 0.921 . . . . 70.23 110.01 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.53 33.64 0.02 OUTLIER Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 108.808 -1.717 . . . . 62.01 108.808 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 12.8 tpp180 -132.25 128.46 37.9 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.434 -0.883 . . . . 73.15 110.285 -170.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.0 t -76.36 109.37 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.316 -0.624 . . . . 65.4 109.316 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 21' ' ' LEU . 28.5 m -104.81 174.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.861 -0.609 . . . . 71.03 111.191 -175.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.36 101.97 30.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.873 -0.603 . . . . 65.12 109.659 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.07 115.11 0.43 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.33 2.687 . . . . 43.14 112.674 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -128.54 160.11 33.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 64.23 110.307 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.44 126.7 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.077 -0.342 . . . . 63.1 110.077 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.629 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -65.33 144.07 57.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.912 0.386 . . . . 75.25 111.21 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.415 ' HA ' HE21 ' A' ' 12' ' ' GLN . 9.1 p -93.59 164.33 2.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.29 -0.633 . . . . 72.32 109.29 175.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 m -62.95 126.82 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.01 -0.737 . . . . 75.13 109.01 176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 6.6 ptp85 -60.9 -28.89 69.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.746 0.308 . . . . 75.44 110.627 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -58.08 -38.03 75.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.874 -0.603 . . . . 73.41 110.398 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.556 ' HA ' ' HD2' ' A' ' 97' ' ' ARG . 7.9 m-20 -73.62 -23.5 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 70.45 111.391 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.7 m -92.71 -20.85 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.507 -0.315 . . . . 61.54 111.446 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 92' ' ' ARG . 77.7 mt-30 -65.31 -49.8 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 64.44 110.676 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.683 ' O ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.942 -0.572 . . . . 74.33 110.572 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.911 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O4'-C1'-C2' 108.247 1.32 . 0.0 '__' . 75.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.911 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 100.582 -1.02 . 0.0 OUTLIER gamma 75.51 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.751 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.333 1.38 . 0.02 0b . 73.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.943 " H4'" " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.059 1 C1'-O4'-C4' 105.66 -4.378 OUTLIER-DELTA 0.0 OUTLIER delta 75.51 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.943 " H5'" " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 103.804 -1.211 . 0.0 OUTLIER delta-1 75.32 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.657 ' H5 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 C3'-C2'-C1' 100.06 -1.6 . 0.297 5q . 74.42 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.605 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-C2' 107.282 0.63 . 0.0 OUTLIER . 74.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.703 0.287 . . . . 72.5 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -65.01 -28.73 69.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.917 0.389 . . . . 70.42 111.002 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -87.4 27.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 74.54 111.088 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t -75.42 -173.35 2.07 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.345 -0.613 . . . . 74.4 109.345 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.37 103.13 1.91 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.617 0.722 . . . . 74.44 110.679 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.2 m -140.79 132.54 14.01 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.354 -0.839 . . . . 70.42 109.037 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.614 ' HB2' HH21 ' A' ' 14' ' ' ARG . 23.4 Cg_exo -64.28 116.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.206 1.937 . . . . 64.01 110.763 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -156.71 98.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.657 0.265 . . . . 74.1 111.698 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.881 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . 6.9 tp10 -137.87 -64.78 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.335 -0.393 . . . . 70.33 111.026 171.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 9' ' ' GLU . 4.7 Cg_exo -76.67 103.95 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.62 1.547 . . . . 65.4 112.171 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.59 -43.95 95.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.541 -0.754 . . . . 71.12 110.818 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.673 ' OE1' ' HB2' ' A' ' 91' ' ' SER . 6.5 pt20 -65.16 -37.04 86.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.056 -0.52 . . . . 64.13 110.72 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 3.3 tt -80.24 -18.69 48.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.055 0.455 . . . . 63.24 110.87 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.614 HH21 ' HB2' ' A' ' 7' ' ' PRO . 23.8 mtt85 -93.24 -5.67 49.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.152 0.501 . . . . 74.12 109.918 173.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 25.2 ttmm -93.27 136.46 33.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.346 -0.843 . . . . 75.15 109.874 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.673 HD13 HG13 ' A' ' 68' ' ' VAL . 9.2 tp -103.25 126.42 50.41 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.511 -0.768 . . . . 75.31 109.993 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.525 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 18.8 t80 -87.0 109.88 19.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.956 -0.757 . . . . 52.02 108.956 176.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.493 HG21 HD21 ' A' ' 30' ' ' LEU . 10.8 mm -102.35 95.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.326 -0.397 . . . . 45.33 110.105 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.67 147.78 18.02 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.026 -1.083 . . . . 52.14 111.684 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.764 ' HA2' " H5'" ' B' ' 1' ' ' ' U' . . . 98.0 19.66 23.42 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.819 -0.705 . . . . 70.13 112.722 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.2 pp -94.1 167.48 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.903 0.352 . . . . 72.42 110.843 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -78.63 174.82 10.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 72.43 111.553 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -82.64 -10.89 58.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.902 -0.59 . . . . 74.51 110.879 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -96.68 -9.91 28.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.143 0.497 . . . . 74.31 109.923 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' HD13 ' A' ' 21' ' ' LEU . 77.9 m -68.77 94.54 0.61 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.381 -0.827 . . . . 53.13 110.861 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -93.29 167.42 11.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.6 -0.727 . . . . 62.23 109.833 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -38.9 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.663 0.268 . . . . 62.41 110.998 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.08 -35.87 82.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.162 -0.472 . . . . 62.13 111.048 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -74.6 -42.69 58.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.534 0.683 . . . . 64.14 109.408 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 18' ' ' ILE . 2.7 tm? -64.95 -50.39 66.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.758 -1.11 . . . . 73.51 109.858 -173.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 13.8 ptt180 -66.31 -36.13 82.15 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.966 -0.561 . . . . 74.02 110.165 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.06 -40.33 90.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.639 0.257 . . . . 71.11 110.589 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -70.46 -28.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 75.43 110.724 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -91.48 -15.58 28.59 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.227 -0.296 . . . . 53.5 111.663 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 32.0 mt-10 -72.17 1.38 7.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.213 0.53 . . . . 74.32 110.671 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.79 -26.5 24.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.697 -0.683 . . . . 73.34 111.957 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -112.03 10.96 20.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.188 0.518 . . . . 65.3 110.191 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.13 179.67 39.17 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.546 -0.835 . . . . 35.44 112.986 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -102.12 123.31 45.76 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.243 0.217 . . . . 64.13 111.022 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.4 mm? -86.29 116.28 24.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.133 -0.627 . . . . 40.24 109.948 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 p -82.64 -20.34 36.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.231 -0.895 . . . . 75.32 109.315 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 32.1 t70 -142.39 134.46 27.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.905 -1.043 . . . . 72.24 109.348 174.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.9 p -148.54 131.53 16.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.625 0.25 . . . . 73.41 110.559 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG21 " H1'" ' B' ' 5' ' ' ' G' . 14.1 p -163.76 150.26 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.363 -0.381 . . . . 73.14 111.109 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.35 151.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 74.11 110.017 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.487 ' HE2' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -96.63 134.5 39.8 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.733 0.778 . . . . 63.34 111.634 -175.423 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 5.2 mpt_? -105.56 161.03 14.71 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.682 -1.144 . . . . 64.44 109.193 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 13.8 t70 -61.18 136.73 94.06 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.862 -0.421 . . . . 73.45 109.862 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.555 ' HA ' ' O2 ' ' B' ' 7' ' ' ' C' . 44.6 Cg_endo -68.47 -10.88 30.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.388 2.059 . . . . 74.55 112.682 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -110.03 -58.0 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 71.14 109.854 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.0 p -81.05 -24.52 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.683 -0.689 . . . . 74.23 111.342 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt 66.74 21.37 10.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.764 -0.653 . . . . 72.22 110.977 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -92.59 -75.25 0.49 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 70.53 110.925 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 5.8 p -158.41 158.57 34.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.827 -0.17 . . . . 74.32 110.808 -178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 14.9 mtm180 -125.75 4.04 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.971 0.36 . . . . 72.0 111.971 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.704 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 78.08 24.35 64.18 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.662 -0.78 . . . . 64.11 113.895 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.742 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 26.8 p90 -164.76 164.43 21.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.997 0.398 . . . . 72.31 110.674 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.12 -170.26 27.74 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.95 -0.568 . . . . 52.23 112.011 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' CE2' ' HE2' ' A' ' 46' ' ' MET . 91.9 m-85 -136.44 155.13 50.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 72.04 111.326 -178.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -151.0 114.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 73.24 110.589 176.158 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 46.3 m -93.44 121.17 34.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.446 -0.576 . . . . 43.41 109.446 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.56 178.16 8.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.674 0.273 . . . . 64.42 110.458 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -32.99 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.457 0.646 . . . . 51.22 109.803 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 t -149.24 156.43 42.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.478 -0.783 . . . . 73.22 110.214 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 m -55.06 -29.91 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 75.1 112.393 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.45 -35.84 68.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.172 0.51 . . . . 72.5 110.956 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.614 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.4 mt-10 -76.87 -40.17 48.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.543 -0.753 . . . . 73.33 110.561 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG13 HD13 ' A' ' 16' ' ' LEU . 50.1 t -56.56 -51.07 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.874 -0.603 . . . . 75.21 110.584 177.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.63 -34.82 76.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 73.33 110.9 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 73.22 110.464 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.88 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.9 -0.591 . . . . 60.32 110.574 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 30.2 mtt -68.92 -40.31 79.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 71.04 110.6 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -66.86 -20.28 65.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.932 0.396 . . . . 63.1 110.822 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.12 14.11 8.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.438 0.533 . . . . 72.52 112.438 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 5.3 ptp85 -77.14 153.59 82.38 Favored Pre-proline 0 C--N 1.328 -0.358 0 C-N-CA 121.099 -0.24 . . . . 72.31 110.805 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 35.7 Cg_endo -65.71 126.74 6.81 Favored 'Cis proline' 0 C--O 1.236 0.39 0 C-N-CA 123.423 -1.49 . . . . 75.4 112.456 -0.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 28.0 t-80 -74.8 149.77 39.55 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 72.34 109.571 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -133.9 114.86 13.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.44 -0.345 . . . . 64.41 110.344 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.23 119.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.821 -0.627 . . . . 71.53 110.119 177.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.22 36.02 25.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.64 -0.709 . . . . 54.22 111.363 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 2.99 88.52 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.704 -0.68 . . . . 74.12 112.928 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.672 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 22.5 tpp180 -108.8 137.65 46.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.778 0.323 . . . . 72.1 110.938 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 60.9 t -89.64 125.45 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.263 -0.643 . . . . 71.12 109.263 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.28 171.64 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 74.51 111.528 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.71 102.74 46.95 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.365 -0.834 . . . . 74.41 108.981 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.1 Cg_endo -83.06 115.1 2.3 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.483 2.122 . . . . 75.15 111.602 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' HD12 ' A' ' 16' ' ' LEU . 14.8 mtpp -119.43 150.35 40.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.392 -0.822 . . . . 72.23 110.519 -172.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 122.5 17.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.108 -0.701 . . . . 73.54 109.108 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.708 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -77.89 142.96 38.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.639 0.733 . . . . 73.21 111.841 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.415 HG22 ' C2 ' ' B' ' 3' ' ' ' A' . 34.6 m -89.24 -178.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.397 -0.964 . . . . 71.42 108.397 169.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.673 ' HB2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 t -85.73 149.53 25.23 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.678 -0.809 . . . . 74.4 109.053 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.518 ' HD2' " O2'" ' B' ' 4' ' ' ' G' . 4.3 ptm180 -68.32 -18.86 64.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.864 -0.791 . . . . 74.42 108.864 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.6 -33.35 62.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.943 -1.026 . . . . 74.14 109.596 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 91' ' ' SER . 1.4 m-20 -77.15 -25.95 52.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.409 -0.814 . . . . 74.55 110.882 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -77.27 103.88 7.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.752 -0.658 . . . . 53.0 111.028 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' H ' ' CD ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -98.84 -0.62 42.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.543 -0.753 . . . . 73.35 109.434 174.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.373 -0.831 . . . . 72.13 109.951 -178.848 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.764 " H5'" ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C4'-C3'-C2' 103.527 0.827 . 0.0 '__' . 74.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.752 ' H6 ' HO5' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C4'-C3'-C2' 105.127 2.427 . 0.0 OUTLIER zeta-1 74.15 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.836 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.016 1 C3'-C2'-C1' 97.488 -4.458 . 0.29 4b . 71.32 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.836 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 C1'-O4'-C4' 107.478 -2.358 . 0.0 OUTLIER gamma 74.11 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.85 " H4'" ' C5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 C4'-C3'-C2' 106.172 3.472 OUTLIER-DELTA 0.0 OUTLIER gamma 74.52 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.729 ' H6 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 104.716 2.016 . 0.0 OUTLIER zeta-1 74.45 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.85 ' C5 ' " H4'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 103.096 -1.717 . 0.0 OUTLIER gamma 63.13 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.814 0.34 . . . . 64.34 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -85.77 103.58 14.67 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.037 -0.357 . . . . 74.13 110.037 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -97.1 -12.84 22.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.073 0.463 . . . . 72.22 110.694 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -149.92 136.88 19.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.59 . . . . 74.21 110.435 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -68.91 -78.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.014 -0.736 . . . . 72.4 109.014 172.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 m -161.59 132.92 3.89 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.075 -0.966 . . . . 61.24 108.67 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.43 124.89 17.4 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.154 1.903 . . . . 73.33 110.429 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -77.17 58.93 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.545 0.688 . . . . 72.33 111.858 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' HB3' ' HE ' ' A' ' 14' ' ' ARG . 7.4 mm-40 -78.94 138.53 57.23 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 107.975 -1.12 . . . . 72.23 107.975 170.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.647 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 47.8 Cg_endo -69.01 91.59 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 121.421 1.414 . . . . 75.43 111.047 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.598 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 26.9 tt0 -62.27 -19.33 63.14 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.573 -0.74 . . . . 65.3 109.937 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -65.86 -53.73 35.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 73.44 111.037 176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.647 ' HG ' ' HB2' ' A' ' 10' ' ' PRO . 4.7 pp -90.89 -13.41 33.68 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.678 -0.409 . . . . 64.01 111.83 -171.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' HE ' ' HB3' ' A' ' 9' ' ' GLU . 80.0 mtt-85 -92.26 -9.38 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.885 -0.326 . . . . 75.44 110.405 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 22.5 ttmm -88.04 136.4 32.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.609 . . . . 50.14 110.679 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD13 HG13 ' A' ' 68' ' ' VAL . 8.1 tp -101.52 123.62 45.86 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.128 -0.942 . . . . 71.13 109.561 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 14.0 t80 -86.38 112.94 21.93 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.06 -0.719 . . . . 72.41 109.06 176.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.26 101.24 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.007 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.14 142.98 17.39 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.942 -1.123 . . . . 64.43 112.397 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.1 34.46 8.18 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.032 -0.604 . . . . 74.12 112.574 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.618 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.0 pp -98.53 174.5 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 63.35 111.185 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -75.73 167.9 21.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 75.21 111.492 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 1.042 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 87.6 m-85 -85.7 -1.33 57.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.6 0.714 . . . . 74.54 109.642 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.41 -9.5 32.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.82 -1.082 . . . . 63.14 109.441 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.618 ' HB ' HD13 ' A' ' 21' ' ' LEU . 55.5 m -76.82 104.14 7.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.195 -0.911 . . . . 73.22 111.386 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -107.33 169.61 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.618 -0.719 . . . . 70.21 110.235 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.6 t70 -52.02 -48.48 64.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.055 0.542 . . . . 72.33 111.809 -174.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.16 -37.71 88.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.079 -0.509 . . . . 73.42 111.48 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -78.27 -32.31 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.045 -0.354 . . . . 72.34 110.045 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 45' ' ' VAL . 20.8 tp -66.1 -48.31 71.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.611 -0.514 . . . . 63.44 109.611 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.7 ptm180 -65.25 -39.56 92.83 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.786 -0.643 . . . . 73.03 110.293 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -62.17 -38.83 90.57 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.884 -0.326 . . . . 64.03 110.928 -176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -74.6 -39.13 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 74.22 111.137 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.3 m-85 -85.54 -19.86 30.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.611 0.597 . . . . 71.23 112.611 -175.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mt-10 -78.47 10.26 3.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.277 0.56 . . . . 74.41 110.61 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.13 -25.89 31.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.587 -0.733 . . . . 74.15 111.245 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -113.13 12.21 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 75.1 110.505 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.94 -170.14 40.55 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.218 -0.991 . . . . 60.44 113.152 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 52.4 m -108.39 123.1 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.428 0.291 . . . . 51.0 110.776 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.735 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.2 mt -92.59 108.06 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.539 . . . . 71.34 110.367 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.8 p -80.32 -16.22 55.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 54.43 110.369 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.2 t70 -151.47 105.3 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.355 -0.839 . . . . 61.05 110.571 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.51 143.81 47.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.613 -0.435 . . . . 55.43 110.108 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.588 HG21 " H1'" ' B' ' 5' ' ' ' G' . 14.8 p -163.56 146.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 63.42 110.36 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG12 HD22 ' A' ' 30' ' ' LEU . 34.0 m -124.37 156.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.023 0.44 . . . . 72.54 110.576 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.742 ' HG3' H5'' ' B' ' 4' ' ' ' G' . 17.1 mmt -104.63 132.01 51.37 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.974 -0.751 . . . . 63.22 108.974 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 38.9 mtp180 -121.48 144.58 48.62 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.261 -0.427 . . . . 73.42 110.156 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 11.2 t70 -50.32 137.05 22.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 124.115 0.884 . . . . 72.23 110.821 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.54 -18.51 59.52 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.306 2.004 . . . . 61.25 112.257 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -102.96 -55.43 2.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 72.14 110.109 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 53' ' ' ARG . 16.6 p -82.39 -30.58 30.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.576 -0.738 . . . . 60.34 111.045 -174.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 66.57 26.52 9.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.493 -0.776 . . . . 62.32 111.413 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.524 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 4.7 mpt_? -92.36 -76.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.683 0.278 . . . . 72.03 110.276 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 1.042 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 42.7 t -155.36 155.05 32.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 73.3 110.236 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 71.2 mtp180 -101.55 1.79 38.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.741 -0.663 . . . . 72.42 110.366 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.673 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 89.64 10.51 65.16 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.734 -0.746 . . . . 45.14 112.756 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.748 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 18.4 p90 -158.95 160.05 35.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.365 0.602 . . . . 71.03 111.74 176.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.43 -178.45 31.5 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.196 -0.911 . . . . 72.45 111.267 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.494 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.8 m-85 -135.89 148.51 48.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.221 0.534 . . . . 74.41 111.248 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.735 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -148.31 109.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.203 -0.908 . . . . 73.24 110.685 -177.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -95.87 115.28 27.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.713 -0.676 . . . . 71.31 109.616 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 39' ' ' THR . 57.5 m-85 -77.86 176.19 9.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.818 0.342 . . . . 71.3 111.03 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.24 -37.03 58.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.435 0.636 . . . . 72.14 109.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.6 t -143.54 160.21 41.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.196 -0.911 . . . . 74.31 109.619 175.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.73 -17.83 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 75.4 111.22 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 73.45 110.153 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.6 mt-10 -77.1 -38.12 52.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.667 -0.697 . . . . 70.13 109.693 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.697 HG13 HD13 ' A' ' 16' ' ' LEU . 20.0 t -54.83 -49.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.379 -0.828 . . . . 60.44 110.4 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.32 -40.83 87.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 71.02 110.933 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.22 96.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 73.32 110.7 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.85 82.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 63.21 110.58 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 36.7 mtt -66.18 -37.86 86.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.767 -0.651 . . . . 72.52 110.746 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.21 -4.1 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.979 -0.555 . . . . 72.15 110.531 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 12.04 33.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 70.21 110.647 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 15.0 ptt180 -76.02 152.09 84.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 65.32 110.359 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 17.4 Cg_exo -66.16 127.0 7.36 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.584 -1.423 . . . . 64.14 111.843 -1.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 26.4 t-80 -73.83 153.35 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.014 -0.539 . . . . 75.11 109.931 -177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -136.91 112.86 9.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.272 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.66 124.05 32.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 73.34 109.887 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 62.89 30.74 16.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.502 -0.772 . . . . 71.02 110.988 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.59 23.8 77.38 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.639 -0.709 . . . . 54.22 112.417 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -126.26 132.58 51.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.314 -0.254 . . . . 72.01 110.314 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 62.4 t -81.78 126.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.879 -0.415 . . . . 75.51 109.879 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 21' ' ' LEU . 32.6 m -120.89 173.82 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.166 -0.47 . . . . 23.44 111.391 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.476 ' HB2' ' H3 ' ' B' ' 2' ' ' ' U' . 59.8 mt-10 -115.1 113.49 43.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 74.51 109.468 171.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 16' ' ' LEU . 25.3 Cg_endo -91.72 103.59 0.23 Allowed 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 122.661 2.241 . . . . 71.42 111.028 173.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -117.12 154.83 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 72.1 110.546 -171.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 130.44 44.94 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.279 -0.637 . . . . 61.5 109.279 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -74.19 138.46 43.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.554 0.692 . . . . 74.33 112.35 -174.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 91' ' ' SER . 9.9 p -91.66 175.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 74.51 108.612 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 90' ' ' VAL . 26.4 t -60.2 140.04 57.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.271 0.487 . . . . 61.41 110.537 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.84 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 13.3 ptt180 -62.9 -30.98 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.003 -0.544 . . . . 73.22 110.232 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -77.46 -42.5 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.43 111.169 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.63 -15.25 37.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 71.24 112.506 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.55 ' HB3' ' N2 ' ' B' ' 4' ' ' ' G' . 21.8 t -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.813 -0.355 . . . . 74.54 111.074 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -123.46 -45.78 2.06 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.348 -0.22 . . . . 74.31 111.473 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 120.874 -0.33 . . . . 71.4 110.361 -178.74 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.856 " H3'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C4'-C3'-C2' 104.786 2.086 . 0.0 '__' . 74.42 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.856 H5'' " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.708 0.934 . 0.0 OUTLIER . 72.31 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.722 " H2'" ' OP2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 108.331 1.38 . 0.0 OUTLIER gamma 71.11 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.84 ' C2 ' ' HA ' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.028 1 C1'-O4'-C4' 105.465 -4.594 OUTLIER-EPSILON 0.0 OUTLIER alpha 75.31 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 1.068 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 C4'-C3'-C2' 106.051 3.351 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 74.32 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.068 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 C4'-C3'-C2' 104.547 1.847 . 0.0 OUTLIER gamma 75.41 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.725 ' C6 ' " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-C2' 107.882 1.058 . 0.0 OUTLIER . 74.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.444 -0.206 . . . . 52.13 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 60.55 67.05 0.86 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.629 0.728 . . . . 73.53 109.45 -176.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -161.0 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.323 -0.853 . . . . 75.53 109.939 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.0 m -118.85 114.89 23.34 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.585 -0.734 . . . . 62.4 109.971 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -76.18 134.03 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.904 0.383 . . . . 73.11 110.145 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -96.46 118.74 65.09 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.878 -0.601 . . . . 75.25 110.864 -175.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.19 124.34 13.72 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.317 2.011 . . . . 63.14 110.468 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.21 88.99 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.545 0.688 . . . . 73.21 110.298 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 9.0 pt-20 -92.63 145.37 30.28 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 114.749 -1.114 . . . . 73.01 109.808 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 1.6 Cg_endo -75.82 109.3 2.87 Favored 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 121.888 1.726 . . . . 42.21 110.895 177.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 pt-20 -70.55 -12.26 61.46 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.356 -0.609 . . . . 53.43 109.356 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.53 -59.43 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.714 -0.676 . . . . 74.02 110.962 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -3.93 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 73.23 110.761 -174.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' NE ' ' HB2' ' A' ' 9' ' ' GLU . 53.6 mtt180 -102.69 -6.93 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.65 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 20.5 ttmm -98.02 138.69 34.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 74.23 109.535 177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 5.2 mt -101.22 129.32 47.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.161 -0.927 . . . . 72.51 110.309 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 34.0 t80 -85.44 114.38 22.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 71.55 109.102 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mm -109.28 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.309 -0.405 . . . . 73.43 110.324 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -116.5 144.55 18.47 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 119.894 -1.146 . . . . 53.51 112.079 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.0 17.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.862 -0.685 . . . . 41.2 113.039 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -90.7 169.14 11.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.168 0.484 . . . . 74.24 110.77 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -74.52 172.06 12.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.225 0.536 . . . . 62.42 111.099 -173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 83.6 m-85 -85.79 -2.15 57.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 73.44 109.759 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -99.77 -13.75 19.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 74.13 109.89 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.8 m -65.48 123.43 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 61.42 110.27 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.1 t -132.64 173.82 10.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.695 -0.483 . . . . 60.24 109.695 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -47.2 -47.63 24.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.837 0.455 . . . . 75.23 112.093 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 26' ' ' THR . 8.7 pt-20 -60.81 -45.17 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 54.22 111.767 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -79.71 -25.34 41.19 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.578 -0.449 . . . . 64.32 110.593 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.18 -56.19 14.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.364 -0.606 . . . . 53.13 109.364 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.4 ptm180 -71.17 -34.05 70.56 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.213 -0.595 . . . . 60.44 110.645 -176.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -65.76 -30.12 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.978 -0.289 . . . . 75.52 111.475 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.521 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 71.7 m80 -93.44 -9.17 39.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.822 -0.351 . . . . 61.4 111.215 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' HB2' HD21 ' A' ' 40' ' ' LEU . 29.6 m-85 -107.34 -23.17 12.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.054 0.391 . . . . 75.41 112.054 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.755 ' HG2' HD13 ' A' ' 40' ' ' LEU . 29.9 mt-10 -75.21 15.56 0.42 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.001 0.429 . . . . 75.52 111.335 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 34' ' ' PHE . 77.2 mt-30 -91.81 -21.96 20.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.121 -0.491 . . . . 72.33 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -115.77 13.55 16.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 65.42 110.167 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.35 -172.15 41.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.305 -0.95 . . . . 60.22 112.988 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 87.5 m -104.12 122.91 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.372 0.269 . . . . 61.5 110.408 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.9 mp -93.78 111.3 22.97 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.071 -0.652 . . . . 74.42 109.548 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -77.75 -25.45 49.2 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.826 -0.805 . . . . 73.11 108.826 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.647 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 27.7 t70 -141.0 141.68 34.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.531 -1.213 . . . . 74.33 109.901 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.3 p -153.02 142.24 21.49 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.156 -0.683 . . . . 73.12 109.156 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 7.1 p -163.58 140.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.037 0.446 . . . . 64.14 111.476 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -108.96 137.73 39.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.751 -0.833 . . . . 75.41 108.751 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.784 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 23.8 mmt -81.05 134.19 35.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.937 0.398 . . . . 73.22 111.099 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.88 151.04 32.76 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.646 -0.706 . . . . 61.25 109.295 175.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 13.6 t70 -62.57 143.38 96.36 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.083 -0.508 . . . . 74.41 109.798 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.37 -19.15 38.37 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.176 1.918 . . . . 63.13 112.276 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.69 -59.76 1.64 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.201 0.524 . . . . 74.3 110.034 -176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.3 p -74.66 -30.97 61.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.676 -0.693 . . . . 64.42 110.378 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.9 mmmt 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.23 -0.896 . . . . 74.12 110.659 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -109.7 162.81 14.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.642 -0.708 . . . . 73.45 109.833 175.136 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 3.7 m -52.05 125.41 15.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.727 0.642 . . . . 73.03 111.733 -175.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -87.44 16.91 4.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 73.21 111.919 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 75.64 19.65 78.97 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.789 -0.72 . . . . 51.24 113.257 175.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CD2' H5'' ' B' ' 2' ' ' ' U' . 10.4 p90 -163.53 164.74 24.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.932 0.366 . . . . 73.21 110.679 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.0 -166.14 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 116.056 -0.52 . . . . 61.11 111.805 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.436 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 69.0 m-85 -139.65 157.36 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.204 0.526 . . . . 72.32 111.095 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -147.04 123.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.45 -0.795 . . . . 61.12 110.65 -178.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.647 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.0 m -111.39 119.19 38.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.97 -0.382 . . . . 70.44 109.97 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 39' ' ' THR . 58.2 m-85 -86.3 172.81 10.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 74.5 110.859 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.15 67.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 64.32 109.906 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.511 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -147.91 161.0 42.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.449 -0.796 . . . . 75.31 110.113 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -63.27 -25.82 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 73.22 112.603 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.75 -19.15 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.852 -0.339 . . . . 73.31 111.465 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.3 mt-10 -79.47 -34.6 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 64.11 109.171 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 72' ' ' MET . 25.0 t -58.45 -45.4 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.331 -0.849 . . . . 63.1 109.457 171.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.6 -42.03 82.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.738 -0.664 . . . . 72.24 110.842 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.71 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 43.02 110.776 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.3 -32.02 68.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.001 0.429 . . . . 64.53 110.345 176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.692 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.8 mtt -72.28 -23.3 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 71.14 110.529 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -80.29 -19.03 47.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.402 0.62 . . . . 73.41 109.7 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.84 -8.94 55.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.305 -0.861 . . . . 75.12 111.692 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.696 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 35.2 ptt180 -78.39 149.34 75.37 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 110.123 -0.325 . . . . 64.13 110.123 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.696 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 32.3 Cg_exo -59.68 124.6 2.03 Favored 'Cis proline' 0 C--N 1.347 0.46 0 C-N-CA 123.609 -1.413 . . . . 75.05 112.761 2.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 18.9 t-80 -78.67 167.03 21.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.43 -0.804 . . . . 73.31 110.435 -172.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.8 tppt? -147.07 108.6 4.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 70.54 110.551 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -133.82 130.04 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.601 . . . . 72.35 109.771 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 63.66 18.74 11.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.759 0.79 . . . . 75.44 110.388 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 80.09 13.43 82.04 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.933 -0.651 . . . . 72.44 111.879 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -112.68 134.69 54.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.692 0.282 . . . . 64.4 110.299 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.1 t -81.58 120.65 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 51.54 109.951 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.2 m -118.27 166.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 72.5 111.304 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -110.33 107.76 58.51 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.896 -0.593 . . . . 72.31 110.135 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.88 103.72 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.289 2.659 . . . . 52.12 111.725 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -124.2 150.62 45.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 63.4 110.473 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -55.55 130.51 43.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.268 0.227 . . . . 55.03 110.891 -176.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -72.87 158.0 36.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.5 0.667 . . . . 70.01 111.862 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.43 HG12 ' C2 ' ' B' ' 3' ' ' ' A' . 15.0 p -113.47 161.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.022 -0.99 . . . . 74.22 109.047 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -58.33 132.46 53.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.664 0.269 . . . . 74.34 110.622 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -65.29 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.325 -0.621 . . . . 62.53 109.325 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -64.98 -44.22 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.465 -0.789 . . . . 54.05 110.159 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -40.88 96.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.618 -0.719 . . . . 75.51 111.7 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.2 m -74.55 -29.81 61.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 44.51 111.394 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -83.1 73.32 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.084 0.469 . . . . 71.43 110.405 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.674 -0.679 . . . . 64.44 109.739 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.595 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 C3'-C2'-C1' 104.047 2.83 OUTLIER-DELTA 0.0 '__' . 74.52 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.595 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 103.607 0.907 . 0.0 OUTLIER gamma 74.41 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.882 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 98.374 -3.473 . 0.0 OUTLIER gamma 75.02 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.882 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C1'-O4'-C4' 106.929 -2.968 . 0.0 OUTLIER gamma 63.31 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.746 ' C8 ' ' H8 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C3'-C2'-C1' 100.002 -1.665 . 0.0 OUTLIER gamma 75.23 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 1.052 " H3'" " C5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.8 1.0 . 0.0 OUTLIER gamma 74.33 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 1.052 " C5'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 104.174 -0.947 . 0.0 OUTLIER . 74.31 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.177 -0.305 . . . . 54.41 110.177 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m -67.05 -49.46 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 70.23 110.426 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 3' ' ' LYS . 64.5 mmtt -104.7 78.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.68 0.752 . . . . 72.22 111.713 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -102.69 140.99 36.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.476 -1.305 . . . . 64.35 107.476 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -54.35 106.99 0.23 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.816 0.817 . . . . 70.54 110.373 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -139.58 88.89 12.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.476 -0.784 . . . . 70.11 111.133 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -97.84 34.06 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 123.521 2.814 . . . . 74.23 110.072 167.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.82 91.55 2.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.451 -0.795 . . . . 73.0 110.172 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.768 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.6 mp0 -133.25 158.15 76.43 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.174 -0.921 . . . . 74.15 108.608 173.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -49.33 139.04 29.23 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.477 2.118 . . . . 65.14 112.39 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -52.67 -39.42 61.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.551 . . . . 75.43 109.907 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.52 -61.96 1.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.737 -1.12 . . . . 73.12 112.361 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.768 HD21 ' HB3' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -87.48 -1.29 57.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.426 -0.51 . . . . 73.01 111.559 -170.274 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 63.1 mtm180 -99.09 -14.52 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 75.35 110.399 173.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -89.28 140.52 29.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.424 0.631 . . . . 61.53 109.715 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.575 HD13 HG13 ' A' ' 68' ' ' VAL . 8.9 tp -109.94 130.32 55.54 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.354 -0.839 . . . . 72.21 109.474 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.638 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 27.3 t80 -84.89 113.82 21.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.188 -0.671 . . . . 72.34 109.188 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.51 98.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.48 -0.327 . . . . 72.45 110.428 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.01 146.57 18.85 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.299 -0.953 . . . . 41.04 111.785 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.498 ' HA2' " C5'" ' B' ' 1' ' ' ' U' . . . 95.0 38.96 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.579 -0.82 . . . . 74.43 112.191 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.1 pp -111.33 169.53 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 74.4 110.413 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 p -82.07 169.77 16.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.266 -0.425 . . . . 62.13 110.981 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.913 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 84.1 m-85 -81.48 0.1 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.847 0.832 . . . . 72.24 109.016 175.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.75 -10.21 25.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.17 -1.377 . . . . 73.1 109.061 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -76.21 97.18 4.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.992 -1.003 . . . . 73.01 110.019 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -94.31 166.3 12.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.252 -0.431 . . . . 65.14 110.165 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.636 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 16.1 t70 -49.68 -50.29 44.22 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.068 0.547 . . . . 73.33 111.897 -174.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.92 -37.82 88.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.051 -0.522 . . . . 75.31 111.446 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 m -70.92 -34.67 71.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.908 -0.404 . . . . 51.12 109.908 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD22 HG22 ' A' ' 45' ' ' VAL . 33.0 tp -61.01 -53.83 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 75.14 110.059 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 11.4 ptt85 -63.85 -37.92 89.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.008 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -64.88 -26.67 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.3 111.569 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.533 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 45.4 m80 -90.8 -10.08 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.328 . . . . 61.13 111.536 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' HB2' HD21 ' A' ' 40' ' ' LEU . 42.6 m-85 -112.81 -19.78 11.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.691 0.626 . . . . 74.41 112.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.575 ' HG2' HD13 ' A' ' 40' ' ' LEU . 52.2 mt-10 -73.59 2.59 7.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.103 0.478 . . . . 75.35 110.743 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 59.3 mt-30 -74.51 -39.3 62.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.769 -0.65 . . . . 74.4 111.348 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.533 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.8 m-90 -103.2 4.44 36.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.065 -176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.72 175.36 41.36 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.911 -1.138 . . . . 51.32 113.403 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 94.8 m -89.57 125.71 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.418 0.287 . . . . 73.23 111.055 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.688 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.0 mp -93.9 109.96 21.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.003 0.43 . . . . 73.25 110.327 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -78.35 -21.73 49.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.643 0.735 . . . . 63.44 109.209 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 36.1 t70 -144.71 140.65 28.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.917 -1.038 . . . . 74.13 109.525 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.75 132.56 13.22 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.978 -0.749 . . . . 50.03 108.978 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.636 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 p -161.16 129.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 74.34 112.175 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG23 ' HA ' ' A' ' 27' ' ' ASP . 88.7 t -96.64 141.36 15.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.912 -0.773 . . . . 73.23 108.912 171.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 23.7 mmt -82.45 133.86 35.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 74.35 108.817 175.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 45' ' ' VAL . 4.1 mpt_? -116.81 148.28 41.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.537 -0.465 . . . . 74.43 111.125 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 9.2 t70 -57.95 136.8 83.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.052 -0.976 . . . . 72.31 109.704 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -62.55 -20.79 71.73 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.336 2.024 . . . . 65.02 112.144 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.99 -58.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 54.44 110.252 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 15.3 p -76.28 -29.71 57.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 64.41 111.176 -174.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.3 mmmm 61.92 23.98 14.2 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.839 -0.619 . . . . 72.54 111.247 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -94.52 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.05 0.452 . . . . 72.24 110.592 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.913 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 34.9 t -163.87 170.39 16.87 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.995 -0.743 . . . . 70.41 108.995 177.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 47.0 mtp180 -120.53 6.82 10.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.03 0.443 . . . . 63.12 110.608 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.703 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 88.38 5.46 75.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.612 -0.804 . . . . 44.45 112.447 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' " H5'" ' B' ' 2' ' ' ' U' . 6.3 p90 -162.95 164.01 25.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.049 0.452 . . . . 74.31 110.977 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.75 -173.94 28.88 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.764 -0.653 . . . . 72.33 111.579 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 80.9 m-85 -135.07 155.88 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.286 0.565 . . . . 75.53 111.282 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.5 p -147.75 129.71 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.23 -0.896 . . . . 65.31 110.037 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 28.2 m -118.36 121.62 40.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.558 -0.534 . . . . 72.31 109.558 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 69.6 m-85 -86.14 178.43 7.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.06 -0.518 . . . . 73.01 111.212 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.81 60.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 65.24 110.61 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 t -162.54 163.69 27.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.611 -0.722 . . . . 75.35 109.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.4 m -57.91 -27.05 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.348 0.499 . . . . 64.01 112.348 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.1 -42.31 99.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 74.23 111.017 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.4 mm-40 -63.09 -39.68 95.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.513 -0.767 . . . . 74.22 109.886 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG13 HD13 ' A' ' 16' ' ' LEU . 25.1 t -61.91 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.261 -0.881 . . . . 53.21 111.067 178.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.51 -49.2 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 64.44 110.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.19 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 75.24 111.573 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.45 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 53.35 110.897 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.3 mtt -70.53 -37.94 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.114 0.483 . . . . 64.32 110.326 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.3 -6.2 38.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.665 -0.698 . . . . 60.2 110.475 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.66 8.22 40.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.64 -0.709 . . . . 75.43 110.929 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 -66.61 140.47 96.47 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 64.24 110.022 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.7 127.33 14.1 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.972 -1.262 . . . . 72.25 112.259 0.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.706 -0.679 . . . . 75.15 110.249 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.516 ' HB2' ' NZ ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -139.65 110.22 6.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.597 -0.274 . . . . 72.13 110.545 -176.716 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 34' ' ' PHE . 98.4 t -121.84 121.38 64.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.567 -0.531 . . . . 70.32 109.567 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 64.26 23.6 13.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.794 0.807 . . . . 63.12 110.35 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.53 19.76 79.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.408 -0.901 . . . . 74.21 111.578 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -116.56 133.25 56.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 72.3 109.296 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.8 t -76.17 106.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 63.41 110.231 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.32 161.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 75.32 110.052 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 39.2 tt0 -117.63 113.05 38.54 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-O 120.864 0.364 . . . . 75.31 110.318 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HB2' HD21 ' A' ' 16' ' ' LEU . 20.0 Cg_endo -93.1 110.37 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 123.422 2.748 . . . . 74.22 112.279 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 17.0 ptpt -122.1 158.22 29.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.396 . . . . 72.31 110.219 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -61.21 122.88 16.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.177 -0.305 . . . . 62.41 110.177 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -73.93 140.49 45.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 70.31 111.579 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.521 HG22 ' C2 ' ' B' ' 3' ' ' ' A' . 28.9 m -85.61 -177.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.483 -0.78 . . . . 73.02 109.602 172.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 m -72.93 151.9 41.66 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.539 -0.541 . . . . 63.1 109.539 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.491 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 21.9 ptt85 -78.54 -12.2 60.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.404 0.621 . . . . 73.33 109.566 176.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -83.39 -11.82 57.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.331 -0.849 . . . . 72.24 109.965 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.27 -27.03 53.02 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.844 -0.616 . . . . 74.21 110.104 -177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -49.6 129.78 19.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.69 -1.141 . . . . 65.33 111.773 -174.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.25 -58.51 2.47 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.56 -0.904 . . . . 60.32 108.56 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 115.622 -0.717 . . . . 75.31 110.32 179.775 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.703 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 102.795 1.438 . 0.0 '__' . 74.52 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.638 " H1'" ' CE1' ' A' ' 17' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 P-O3'-C3' 118.821 -0.733 . 0.12 2[ . 75.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.703 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 C3'-C2'-C1' 98.008 -3.88 . 0.0 OUTLIER alpha 75.4 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.75 " H4'" ' OP1' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C1'-O4'-C4' 106.357 -3.603 . 0.0 OUTLIER gamma 71.14 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.983 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C4'-C3'-C2' 104.228 1.528 . 0.0 OUTLIER gamma 74.22 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' U' . . . . . 0.989 " C4'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 C3'-C2'-C1' 102.946 1.607 . 0.0 OUTLIER alpha 73.34 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.989 " H3'" " C4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.749 0.964 . 0.0 OUTLIER '7D dist 6d' 75.33 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--O 1.226 -0.164 0 CA-C-O 120.964 0.411 . . . . 73.120000000000005 109.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -58.62 -36.84 74.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.484 -0.78 . . . . 73.409999999999997 111.572 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.75 -27.18 40.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.931 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -90.09 -11.84 40.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 70.430000000000007 110.867 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 24.3 ttmm -89.38 137.96 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.38 0.609 . . . . 54.109999999999999 110.707 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 68' ' ' VAL . 8.4 tp -111.46 131.7 55.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.318 -0.855 . . . . 71.019999999999996 109.335 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -88.55 114.56 25.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.593 -0.521 . . . . 75.010000000000005 109.593 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -106.7 97.41 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.213 -0.448 . . . . 74.219999999999999 110.175 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.74 144.68 16.8 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.075 -1.059 . . . . 51.310000000000002 112.331 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.53 48.33 5.33 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.861 -0.685 . . . . 42.409999999999997 112.16 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -108.32 179.34 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 73.120000000000005 111.426 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.446 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 29.2 t -72.88 155.0 40.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 72.200000000000003 110.924 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -78.21 -4.42 47.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.157 0.503 . . . . 70.099999999999994 110.032 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -98.19 -8.23 27.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.581 -0.736 . . . . 64.230000000000004 109.503 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.685 ' HB ' HD13 ' A' ' 21' ' ' LEU . 47.4 m -75.65 101.11 4.85 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.547 -0.751 . . . . 64.129999999999995 111.139 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.9 t -110.36 -176.63 3.03 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.782 -0.821 . . . . 74.319999999999993 108.782 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.21 -53.1 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.61 0.364 . . . . 43.140000000000001 111.815 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.3 pt-20 -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 73.439999999999998 111.634 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -77.27 -30.26 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 70.049999999999997 109.933 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.23 -57.03 4.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.548 -0.751 . . . . 61.409999999999997 109.899 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 ptm180 -64.82 -36.0 82.9 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.723 -0.391 . . . . 72.439999999999998 110.751 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.2 t -62.29 -31.88 72.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.74 0.305 . . . . 74.310000000000002 111.115 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.7 m-70 -92.75 -6.38 49.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.527 -0.306 . . . . 75.120000000000005 111.496 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' A' ' 40' ' ' LEU . 27.5 m-85 -110.2 -22.21 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.806 -0.357 . . . . 71.230000000000004 111.9 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' HD13 ' A' ' 40' ' ' LEU . 59.3 mt-10 -73.46 17.72 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.075 0.464 . . . . 75.349999999999994 111.12 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 34' ' ' PHE . 14.0 mt-30 -97.8 -20.7 17.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 72.109999999999999 111.256 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.0 m-90 -115.76 14.62 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.283 0.563 . . . . 65.319999999999993 109.874 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.42 -169.95 38.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.459 -0.877 . . . . 72.010000000000005 112.895 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 42.1 m -106.79 124.49 49.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.423 0.289 . . . . 62.109999999999999 110.278 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 60' ' ' VAL . 1.8 mp -92.43 112.63 24.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.16 -0.616 . . . . 74.420000000000002 110.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.2 p -80.46 -28.6 37.61 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.44 -0.8 . . . . 41.439999999999998 109.857 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.4 t70 -143.11 99.03 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.632 -0.713 . . . . 73.310000000000002 110.278 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.6 p -113.2 133.1 55.23 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 109.027 -0.731 . . . . 74.409999999999997 109.027 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.9 121.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.4 0.619 . . . . 62.25 111.492 -177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.13 142.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.231 -0.655 . . . . 70.530000000000001 109.231 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.567 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 24.5 mmt . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 109.979 -0.378 . . . . 73.409999999999997 109.979 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 42.3 mtp180 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.837 0.351 . . . . 70.239999999999995 111.161 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.98 15.21 79.48 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.798 -0.715 . . . . 63.32 113.378 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.94 159.51 18.22 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.771 0.32 . . . . 75.329999999999998 110.487 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 -173.4 28.2 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.178 -0.534 . . . . 42.030000000000001 112.155 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.29 154.74 48.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 75.109999999999999 111.068 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.657 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.4 p -148.79 116.49 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.46 -0.791 . . . . 72.400000000000006 110.626 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 38.1 m -107.22 125.25 50.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.949 -0.389 . . . . 72.510000000000005 109.949 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 60.0 m-85 -88.47 175.75 7.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.466 -0.334 . . . . 73.010000000000005 110.998 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -22.19 58.99 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.519 . . . . 42.229999999999997 110.553 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -159.59 162.97 35.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.4 -0.818 . . . . 61.149999999999999 110.026 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.566 HG23 HH21 ' A' ' 88' ' ' ARG . 3.5 p -60.61 -32.26 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 73.150000000000006 112.338 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.83 -15.75 62.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.686 0.279 . . . . 71.439999999999998 111.718 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 29.0 mt-10 -82.91 -37.29 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.531 -0.544 . . . . 63.009999999999998 109.531 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 16' ' ' LEU . 7.7 t -58.0 -43.82 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.636 -0.711 . . . . 63.509999999999998 109.495 171.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.44 -41.88 81.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.038 -0.983 . . . . 73.140000000000001 110.131 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.79 88.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.240000000000002 110.914 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.07 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.934 0.397 . . . . 73.219999999999999 110.378 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.8 mtt -68.16 -37.59 81.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 70.430000000000007 110.72 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.29 -17.02 63.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.018 0.437 . . . . 74.329999999999998 110.619 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.16 7.54 31.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.983 -0.553 . . . . 74.230000000000004 111.514 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 87.7 mtm180 -70.97 145.29 91.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.52 -0.309 . . . . 75.120000000000005 110.443 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.418 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.2 Cg_exo -70.99 126.08 10.05 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.693 -1.378 . . . . 73.239999999999995 111.901 -0.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.424 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 26.4 t-80 -69.98 158.99 34.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 60.219999999999999 110.615 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -141.82 112.55 7.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.776 -0.647 . . . . 62.219999999999999 110.036 -176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.47 127.79 54.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 73.120000000000005 110.204 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.9 t70 70.77 -5.22 1.5 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.688 -0.687 . . . . 75.510000000000005 111.092 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.44 8.64 30.5 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.311 -0.716 . . . . 62.039999999999999 111.311 -174.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 7.9 tpp180 -112.3 132.61 54.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.469 -0.366 . . . . 75.120000000000005 110.458 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.01 119.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.095 -0.705 . . . . 71.129999999999995 109.095 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -116.1 176.0 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 65.140000000000001 111.179 -175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -123.69 105.86 32.51 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 74.129999999999995 109.623 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HB2' HD21 ' A' ' 16' ' ' LEU . 28.0 Cg_endo -91.12 106.46 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.179 2.586 . . . . 70.140000000000001 112.531 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -111.68 160.22 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 73.239999999999995 110.49 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.566 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -63.57 131.01 46.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.15 -0.315 . . . . 75.019999999999996 110.15 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' GLN . . . -65.95 122.67 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 64.019999999999996 111.109 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.168 -0.678 . . . . 62.039999999999999 109.168 176.39 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG3' HG21 ' A' ' 61' ' ' THR . 37.0 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.477 -0.194 . . . . 75.430000000000007 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -56.43 -50.18 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.246 0.546 . . . . 75.129999999999995 110.975 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.67 -24.69 62.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.54 -0.755 . . . . 61.109999999999999 111.414 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.57 -7.81 27.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.616 0.246 . . . . 74.340000000000003 111.56 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.1 ttmm -89.59 136.33 33.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.382 0.61 . . . . 35.409999999999997 110.582 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.52 129.8 53.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.266 -0.879 . . . . 63.420000000000002 109.725 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -86.86 113.27 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.819 -0.628 . . . . 72.140000000000001 109.452 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.6 mm -109.1 97.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.109 -0.496 . . . . 60.009999999999998 110.584 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.93 148.81 18.74 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.051 -1.071 . . . . 55.219999999999999 112.42 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.89 11.55 49.6 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.027 -0.606 . . . . 50.299999999999997 112.698 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -81.41 163.68 22.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.563 0.221 . . . . 71.549999999999997 110.57 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -82.61 173.55 11.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.252 0.549 . . . . 63.130000000000003 111.435 -170.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -81.93 2.36 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.582 0.706 . . . . 63.32 109.644 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.31 -14.86 24.98 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.003 -0.999 . . . . 71.540000000000006 108.9 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' HD13 ' A' ' 21' ' ' LEU . 27.4 m -72.56 130.03 39.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.162 -0.926 . . . . 74.120000000000005 110.425 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -133.14 163.04 30.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 109.908 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.74 -46.75 41.49 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 41.350000000000001 111.667 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.08 -44.26 92.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.446 . . . . 75.030000000000001 112.158 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 p -78.17 -28.88 48.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 75.109999999999999 110.287 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 45' ' ' VAL . 3.0 tm? -65.4 -45.62 83.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.275 -0.875 . . . . 75.239999999999995 108.984 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 6.5 ptp85 -71.96 -38.84 69.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 120.403 -0.519 . . . . 74.129999999999995 110.156 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.6 m -59.79 -38.29 81.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.7 0.286 . . . . 60.240000000000002 111.254 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' CE1' ' H ' ' A' ' 80' ' ' ASP . 9.0 m80 -74.7 -35.95 62.72 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.832 -0.347 . . . . 72.25 111.523 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.7 m-85 -85.59 -17.66 35.57 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.145 -0.622 . . . . 73.209999999999994 112.35 -178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 23.6 mt-10 -79.01 14.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.472 . . . . 75.420000000000002 110.942 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.5 mt-30 -86.88 -32.05 20.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.062 -0.517 . . . . 71.109999999999999 110.722 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 25.5 m-90 -108.69 15.27 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.37 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 161.68 -169.23 37.08 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.233 -0.984 . . . . 65.120000000000005 113.385 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -112.82 124.87 53.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 62.109999999999999 111.185 -178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.6 mt -91.36 111.14 22.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.131 0.491 . . . . 74.340000000000003 110.466 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.7 p -81.98 -24.65 35.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 74.120000000000005 110.042 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -143.32 96.41 2.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.053 -0.976 . . . . 73.230000000000004 109.754 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.11 139.5 53.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.379 -0.373 . . . . 74.409999999999997 110.391 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.8 147.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.878 0.371 . . . . 73.140000000000001 111.359 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 ' HG ' ' A' ' 30' ' ' LEU . 60.3 t -119.77 139.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.065 -0.516 . . . . 71.329999999999998 110.04 174.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.133 -0.485 . . . . 73.430000000000007 110.284 179.534 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 121.003 0.43 . . . . 74.299999999999997 110.395 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.85 60.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.647 -0.787 . . . . 60.32 112.187 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -165.52 161.69 18.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.078 0.466 . . . . 62.299999999999997 111.017 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 178.61 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.816 -0.914 . . . . 64.420000000000002 110.816 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.7 m-85 -133.97 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 73.099999999999994 111.27 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -147.34 111.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.33 -0.85 . . . . 74.299999999999997 111.194 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 4.3 m -97.75 114.65 26.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.631 -0.713 . . . . 63.399999999999999 109.604 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -78.03 172.82 12.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.765 0.317 . . . . 64.319999999999993 111.151 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.99 57.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 72.420000000000002 109.965 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.3 t -154.69 156.38 36.32 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.496 -0.775 . . . . 64.200000000000003 110.678 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.25 -29.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 42.420000000000002 111.207 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.84 -35.56 64.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.226 0.536 . . . . 74.400000000000006 111.046 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.4 mt-10 -81.76 -33.89 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 74.150000000000006 110.439 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.562 HG13 HD13 ' A' ' 16' ' ' LEU . 40.5 t -59.95 -45.94 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.808 -0.633 . . . . 54.329999999999998 110.44 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -57.16 -46.0 83.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 73.310000000000002 110.506 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.57 90.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 61.140000000000001 111.199 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.34 90.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 52.340000000000003 111.253 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 45.6 mtt -66.77 -42.22 86.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.953 0.406 . . . . 73.510000000000005 110.616 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.69 -15.24 63.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 61.219999999999999 110.952 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 5.36 36.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 44.130000000000003 111.493 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 14.6 ptm180 -78.4 155.67 78.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.063 -0.347 . . . . 71.219999999999999 110.063 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 22.9 Cg_exo -63.93 123.79 3.55 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.7 -1.375 . . . . 70.549999999999997 112.37 1.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.511 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -78.11 154.56 31.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 64.310000000000002 110.625 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -133.26 114.22 13.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.197 -0.456 . . . . 61.210000000000001 110.057 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG21 ' CE2' ' A' ' 34' ' ' PHE . 79.7 t -121.79 127.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.285 . . . . 61.340000000000003 110.638 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.443 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 33.0 t70 67.18 -58.87 0.4 Allowed 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.32 1.012 . . . . 63.009999999999998 110.7 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.84 34.98 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.268 -1.533 . . . . 44.450000000000003 109.268 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -143.55 133.39 23.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.483 -0.859 . . . . 75.420000000000002 109.53 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.4 t -73.43 114.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.873 -0.417 . . . . 72.150000000000006 109.873 176.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -104.16 163.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.392 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -118.58 102.41 49.93 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 109.793 -0.447 . . . . 64.120000000000005 109.793 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -90.61 111.41 0.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 123.124 2.55 . . . . 74.510000000000005 112.667 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.56 165.04 19.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.709 . . . . 74.420000000000002 109.686 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.16 130.29 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.659 0.266 . . . . 73.409999999999997 110.47 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -80.39 131.81 35.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.127 0.489 . . . . 64.019999999999996 111.573 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.66 . . . . 73.450000000000003 109.43 174.237 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.3 tt0 . . . . . 0 C--O 1.22 -0.462 0 N-CA-C 110.256 -0.276 . . . . 64.030000000000001 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.5 -54.61 38.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.381 0.61 . . . . 75.549999999999997 111.248 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD21 ' HB ' ' A' ' 65' ' ' VAL . 6.6 tt -70.82 -23.57 62.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.42 -0.809 . . . . 72.329999999999998 111.777 -173.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -99.17 -7.43 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.391 -0.368 . . . . 74.329999999999998 111.314 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 22.0 ttmm -89.17 136.73 32.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.249 0.547 . . . . 61.350000000000001 110.498 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.613 HD13 HG13 ' A' ' 68' ' ' VAL . 8.2 tp -105.45 127.61 53.09 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.327 -0.852 . . . . 63.329999999999998 109.714 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 24.4 t80 -86.0 113.58 22.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.222 -0.658 . . . . 73.349999999999994 109.222 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mm -108.68 102.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.362 -0.381 . . . . 74.030000000000001 110.121 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.73 150.34 18.67 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 119.815 -1.184 . . . . 61.350000000000001 111.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.37 26.07 21.92 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.951 -0.642 . . . . 42.130000000000003 112.648 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.734 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -96.46 167.7 11.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 44.43 110.961 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m -72.46 166.68 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 64.219999999999999 111.063 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.85 -7.07 59.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.472 . . . . 74.019999999999996 110.553 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -93.93 -9.52 36.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 54.119999999999997 110.047 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.734 ' HB ' HD13 ' A' ' 21' ' ' LEU . 86.3 m -73.61 104.85 4.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.67 -0.695 . . . . 71.109999999999999 110.689 176.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.5 t -116.25 -177.3 3.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.827 -0.624 . . . . 62.43 109.388 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.39 -55.18 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.27 0.47 . . . . 63.140000000000001 112.27 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.57 -35.78 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 65.319999999999993 111.701 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 -13.93 41.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.576 -0.45 . . . . 54.420000000000002 111.214 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD22 HG12 ' A' ' 45' ' ' VAL . 24.8 tp -81.28 -51.03 8.82 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.487 -0.56 . . . . 74.200000000000003 109.487 173.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 8.3 ptt180 -63.75 -37.47 87.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.701 -0.681 . . . . 75.439999999999998 110.652 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -60.6 -34.14 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.120000000000005 111.167 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 44.8 m80 -89.66 -4.41 57.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.992 0.368 . . . . 72.319999999999993 111.992 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' HB2' HD11 ' A' ' 40' ' ' LEU . 42.0 m-85 -116.64 -16.06 10.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.274 0.472 . . . . 64.129999999999995 112.274 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 47.7 mt-10 -75.76 8.12 3.29 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.178 0.513 . . . . 74.129999999999995 110.647 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 36' ' ' GLN . 11.7 mt-30 -84.07 -28.75 27.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.976 -0.556 . . . . 72.5 111.177 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.591 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -107.37 11.37 29.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 71.439999999999998 110.531 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.511 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 164.51 -159.18 32.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.26 -0.972 . . . . 71.439999999999998 113.252 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.5 m -115.24 121.74 43.86 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.529 0.331 . . . . 74.549999999999997 110.864 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.6 mt -91.66 100.51 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.191 0.52 . . . . 62.210000000000001 110.1 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.3 p -75.69 -21.4 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.984 -1.007 . . . . 75.400000000000006 110.204 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 30.4 t70 -143.31 103.65 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.368 -0.833 . . . . 64.5 110.091 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -112.17 145.7 39.38 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.626 -0.509 . . . . 41.310000000000002 109.626 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -168.02 141.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 53.409999999999997 110.985 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 26' ' ' THR . 34.9 m -122.41 151.28 26.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.41 -0.589 . . . . 65.120000000000005 109.41 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 C--N 1.315 -0.894 0 N-CA-C 108.097 -1.075 . . . . 72.099999999999994 108.097 174.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.696 0.284 . . . . 71.239999999999995 110.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.6 70.19 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.468 -0.873 . . . . 42.340000000000003 112.823 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.0 158.98 20.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.773 0.321 . . . . 61.119999999999997 110.561 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.72 -173.09 25.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.213 -0.517 . . . . 45.009999999999998 112.338 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.2 m-85 -135.99 149.46 48.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.101 0.477 . . . . 70.340000000000003 111.041 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.15 112.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.564 -0.744 . . . . 72.439999999999998 110.787 -178.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.648 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -97.29 116.95 30.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 71.450000000000003 110.104 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' THR . 61.7 m-85 -79.18 174.28 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.334 -0.394 . . . . 73.150000000000006 110.944 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.63 61.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.298 0.57 . . . . 75.109999999999999 109.67 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.3 t -141.69 156.82 45.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.812 . . . . 73.129999999999995 110.073 179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' HD21 ' A' ' 13' ' ' LEU . 3.2 p -57.39 -28.72 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 53.030000000000001 111.65 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.12 -32.34 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 64.319999999999993 111.508 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.2 mt-10 -75.96 -38.2 57.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.124 0.488 . . . . 72.5 109.946 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 16' ' ' LEU . 42.2 t -56.34 -46.31 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.43 -0.804 . . . . 65.140000000000001 110.411 174.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.79 -47.75 73.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 75.549999999999997 111.037 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.6 97.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 63.299999999999997 111.2 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.64 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.242 -0.436 . . . . 63.32 110.754 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.728 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 mtt -69.54 -33.39 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 110.908 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -71.6 -17.66 62.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 73.430000000000007 110.762 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.19 22.39 3.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.856 -0.611 . . . . 61.310000000000002 112.273 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.728 ' HD2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -94.41 154.44 40.27 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.162 -0.31 . . . . 62.140000000000001 110.162 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 23.4 Cg_exo -64.65 125.18 4.84 Favored 'Cis proline' 0 C--O 1.236 0.403 0 C-N-CA 123.662 -1.391 . . . . 51.439999999999998 112.187 -0.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 22.8 t-80 -71.49 161.66 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.387 -0.824 . . . . 70.510000000000005 110.476 -174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -142.36 110.46 5.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.098 0.475 . . . . 74.409999999999997 110.853 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.51 129.02 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 73.439999999999998 109.847 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.74 22.84 13.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.6 0.714 . . . . 74.530000000000001 110.246 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.66 8.63 87.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.838 -0.696 . . . . 73.219999999999999 112.172 -176.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -110.88 138.09 47.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.557 0.218 . . . . 72.450000000000003 110.719 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -85.46 123.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.211 -0.45 . . . . 71.409999999999997 110.24 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.528 HG11 ' HB3' ' A' ' 21' ' ' LEU . 26.2 m -118.08 168.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.052 -0.522 . . . . 75.450000000000003 111.147 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -113.23 105.35 55.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.581 . . . . 64.129999999999995 109.927 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.0 Cg_endo -89.7 106.94 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.914 2.409 . . . . 75.519999999999996 111.894 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -122.83 162.01 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.120000000000005 110.339 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -61.65 141.71 57.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.425 -0.352 . . . . 63.219999999999999 110.539 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.41 149.72 31.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.439 0.638 . . . . 65.239999999999995 111.473 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.317 -0.824 0 CA-C-N 115.076 -0.965 . . . . 43.439999999999998 108.438 174.127 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 108.183 -1.043 . . . . 72.450000000000003 108.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -48.98 -56.72 8.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.762 -1.108 . . . . 63.240000000000002 111.737 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -8.59 59.64 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.486 -0.486 . . . . 72.329999999999998 110.684 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -99.44 -1.06 39.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 74.030000000000001 110.202 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.5 ttmm -105.86 139.85 39.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 71.209999999999994 110.207 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.658 ' HG ' HG13 ' A' ' 68' ' ' VAL . 6.4 mt -101.47 130.88 47.81 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.603 -0.726 . . . . 71.510000000000005 110.599 175.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -91.55 118.56 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.597 -0.729 . . . . 72.319999999999993 109.438 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -109.48 98.45 7.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.287 -0.415 . . . . 54.240000000000002 110.328 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 146.02 17.23 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.193 -1.003 . . . . 32.100000000000001 112.283 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 37.59 7.73 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 72.120000000000005 112.412 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.8 pp -103.53 169.61 8.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 74.510000000000005 110.795 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -74.52 162.38 28.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.963 -0.562 . . . . 60.219999999999999 111.157 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -83.85 8.7 14.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.361 0.6 . . . . 72.349999999999994 110.443 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -106.18 -7.83 17.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.324 -0.853 . . . . 65.109999999999999 109.496 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.564 ' HB ' HD13 ' A' ' 21' ' ' LEU . 25.2 m -70.27 118.16 12.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.496 -0.774 . . . . 60.219999999999999 110.29 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -119.55 163.87 16.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 110.311 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.26 -45.16 65.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 111.507 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.33 -38.73 92.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.599 . . . . 74.129999999999995 111.874 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -83.9 -28.18 28.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.542 . . . . 51.420000000000002 110.057 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 34' ' ' PHE . 3.0 tm? -64.03 -53.59 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.797 -0.816 . . . . 74.439999999999998 108.797 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.575 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 ptt180 -66.9 -35.78 80.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.026 -0.533 . . . . 75.400000000000006 110.103 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 t -64.39 -31.99 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.633 0.254 . . . . 64.420000000000002 111.132 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 30.1 m-70 -91.26 -6.4 53.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.619 0.229 . . . . 73.439999999999998 111.619 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 36.9 m-85 -111.54 -21.54 11.7 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 62.439999999999998 112.052 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 50.2 mt-10 -72.17 8.15 1.42 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.178 0.513 . . . . 74.340000000000003 111.068 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.1 mt-30 -84.91 -28.07 26.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.031 -0.531 . . . . 71.319999999999993 111.137 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.553 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.1 m-90 -108.9 8.02 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.908 -0.317 . . . . 74.519999999999996 110.645 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.99 -173.89 42.89 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 119.973 -1.108 . . . . 73.340000000000003 113.72 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 27.8 m -102.47 124.55 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.663 0.385 . . . . 72.340000000000003 110.618 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.594 HD22 HG23 ' A' ' 60' ' ' VAL . 11.1 mt -92.73 112.36 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.251 0.548 . . . . 42.399999999999999 111.108 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.41 -27.78 34.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.385 -0.825 . . . . 54.310000000000002 109.982 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.11 94.89 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.7 -0.682 . . . . 74.299999999999997 111.072 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.1 p -107.11 128.47 54.42 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.275 -0.639 . . . . 75.129999999999995 109.275 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -157.57 130.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 72.129999999999995 112.014 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -107.31 130.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 64.109999999999999 110.089 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.612 -0.514 . . . . 64.140000000000001 109.612 -179.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.888 0.375 . . . . 73.409999999999997 110.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.82 13.71 69.01 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.757 -0.656 . . . . 72.209999999999994 111.785 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -162.08 159.38 26.11 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 63.240000000000002 111.008 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.91 177.88 30.33 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.2 -0.909 . . . . 53.039999999999999 111.018 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -128.85 149.99 50.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.48 0.657 . . . . 74.239999999999995 111.226 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -144.71 103.64 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.782 -1.099 . . . . 74.510000000000005 109.747 -176.47 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -98.26 119.71 37.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.511 -0.768 . . . . 74.140000000000001 109.651 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.448 ' HE2' HD12 ' A' ' 16' ' ' LEU . 59.5 m-85 -87.19 175.52 8.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.804 0.335 . . . . 73.230000000000004 110.628 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.88 65.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 54.439999999999998 109.907 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -138.92 162.22 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.462 -0.79 . . . . 75.439999999999998 110.034 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.8 -30.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.327 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.13 -38.52 73.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 52.25 111.454 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -72.64 -36.42 68.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 65.549999999999997 110.29 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.658 HG13 ' HG ' ' A' ' 16' ' ' LEU . 25.2 t -59.91 -49.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 72.430000000000007 110.303 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.31 -36.1 77.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 74.040000000000006 110.938 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.24 91.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 63.509999999999998 110.56 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 74.230000000000004 110.473 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.637 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 34.2 mtt -68.94 -42.31 76.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.068 -0.515 . . . . 61.32 110.449 177.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -66.67 -15.51 63.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 45.310000000000002 110.451 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 1.35 56.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.761 -0.654 . . . . 64.340000000000003 111.721 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.656 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 36.7 ptt180 -82.46 154.11 68.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.106 -0.331 . . . . 61.530000000000001 110.106 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.656 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 39.5 Cg_exo -59.58 128.42 3.98 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.455 -1.477 . . . . 75.439999999999998 112.687 0.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.493 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 28.2 t-80 -80.53 165.72 21.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.257 -0.883 . . . . 62.340000000000003 110.347 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -142.46 110.7 6.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.133 -0.485 . . . . 71.129999999999995 110.373 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.08 129.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 75.109999999999999 109.655 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 67.46 18.32 10.07 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.617 0.723 . . . . 71.209999999999994 110.156 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.89 6.44 89.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.993 -0.623 . . . . 42.130000000000003 111.673 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 21.5 tpp180 -103.87 127.45 51.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 75.120000000000005 110.131 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 69.3 t -77.46 108.0 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.686 -0.487 . . . . 74.140000000000001 109.686 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -106.41 173.28 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 111.071 -176.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.44 107.16 23.82 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.875 -0.602 . . . . 72.319999999999993 110.022 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -89.77 120.48 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.111 2.54 . . . . 75.510000000000005 112.258 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -128.49 158.99 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.051 -0.522 . . . . 63.299999999999997 110.505 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.38 124.17 19.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.703 -0.48 . . . . 71.530000000000001 109.703 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -71.34 159.18 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.177 0.513 . . . . 64.040000000000006 111.7 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 109.016 -0.735 . . . . 44.200000000000003 109.016 175.678 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.254 -0.647 . . . . 72.239999999999995 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -51.69 -57.87 7.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.117 -0.947 . . . . 73.450000000000003 112.02 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -4.97 59.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.741 -0.384 . . . . 63.049999999999997 111.644 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -101.81 -10.88 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.911 0.386 . . . . 74.099999999999994 110.666 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.9 ttmm -91.74 134.96 34.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.251 0.548 . . . . 61.539999999999999 110.052 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 68' ' ' VAL . 9.5 tp -100.75 127.64 47.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 74.430000000000007 109.577 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -88.59 115.89 26.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.989 -0.55 . . . . 61.0 109.713 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 30' ' ' LEU . 9.1 mm -107.4 94.31 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.012 -0.54 . . . . 73.310000000000002 109.946 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.96 145.04 16.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.333 -0.937 . . . . 25.129999999999999 111.982 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.74 6.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.769 -0.729 . . . . 52.509999999999998 112.01 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -109.64 174.23 5.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.166 0.508 . . . . 71.109999999999999 111.53 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -66.99 151.88 46.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.223 -0.899 . . . . 65.230000000000004 111.197 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -78.2 0.93 23.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.29 0.567 . . . . 74.019999999999996 109.901 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.41 -5.97 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.402 -0.817 . . . . 74.109999999999999 109.697 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.612 ' HB ' HD13 ' A' ' 21' ' ' LEU . 62.0 m -65.56 103.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 64.519999999999996 110.792 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -97.65 161.1 13.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.328 -0.851 . . . . 70.299999999999997 110.701 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG13 ' A' ' 45' ' ' VAL . 3.1 m-20 -46.31 -49.42 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.998 0.811 . . . . 72.099999999999994 111.505 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 29' ' ' SER . 7.5 pt-20 -64.29 -41.25 96.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 62.329999999999998 111.56 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.3 t -69.89 -35.89 74.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.146 0.498 . . . . 63.310000000000002 109.889 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 18' ' ' ILE . 3.6 tt -69.08 -50.25 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 50.229999999999997 109.468 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 ptm180 -62.9 -34.03 76.57 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.637 -0.425 . . . . 64.510000000000005 110.219 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.055 0.455 . . . . 52.439999999999998 110.412 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.597 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.7 m-70 -83.6 -11.13 57.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.085 -0.507 . . . . 70.109999999999999 111.424 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 30' ' ' LEU . 32.3 m-85 -110.05 -14.93 14.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.406 0.521 . . . . 71.329999999999998 112.406 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 40' ' ' LEU . 27.9 mt-10 -75.85 15.58 0.51 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.348 0.594 . . . . 64.510000000000005 111.188 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.6 mt-30 -93.69 -36.08 12.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.808 -0.633 . . . . 61.030000000000001 110.649 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -101.25 11.26 39.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.964 -0.562 . . . . 53.450000000000003 110.221 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.575 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.3 -166.25 37.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.867 -0.683 . . . . 64.310000000000002 112.48 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -115.03 123.08 48.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.304 0.242 . . . . 62.539999999999999 110.825 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.2 mm? -85.49 116.05 23.57 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.981 -0.687 . . . . 53.009999999999998 109.788 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.6 p -83.63 -23.03 32.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.557 -0.747 . . . . 73.299999999999997 109.751 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.7 t70 -147.3 99.59 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.308 -0.86 . . . . 71.200000000000003 110.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 60' ' ' VAL . 12.6 t -113.66 141.01 47.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.727 -0.471 . . . . 74.209999999999994 109.727 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' HA ' ' OD2' ' A' ' 27' ' ' ASP . 10.5 p -162.01 140.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.392 -0.367 . . . . 64.409999999999997 111.045 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 27' ' ' ASP . 15.8 m -116.84 143.5 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.167 0.508 . . . . 73.510000000000005 110.345 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.763 -0.653 . . . . 74.219999999999999 110.721 -178.407 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 120.757 0.313 . . . . 63.149999999999999 111.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.42 7.33 2.81 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.161 -0.775 . . . . 65.099999999999994 111.161 -172.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -155.19 162.21 41.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.944 0.402 . . . . 64.319999999999993 110.826 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.07 -179.59 32.12 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.021 -0.832 . . . . 75.099999999999994 111.021 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.479 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.4 m-85 -134.47 152.91 52.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.149 0.5 . . . . 75.409999999999997 111.322 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.22 112.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 74.349999999999994 110.356 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 m -93.18 117.12 29.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.675 -0.693 . . . . 64.230000000000004 109.321 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -79.06 178.22 8.2 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.66 0.267 . . . . 75.239999999999995 110.72 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.72 49.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.284 0.564 . . . . 53.240000000000002 109.673 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.2 t -144.33 157.31 44.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.391 -0.822 . . . . 61.340000000000003 110.087 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.77 -23.54 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 70.420000000000002 111.856 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -61.92 -33.42 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.979 0.419 . . . . 74.230000000000004 111.14 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 28.5 mt-10 -76.32 -36.83 58.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.974 -0.557 . . . . 70.200000000000003 109.902 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.624 HG13 HD13 ' A' ' 16' ' ' LEU . 25.7 t -56.69 -48.05 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.52 -0.764 . . . . 32.329999999999998 110.572 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.94 -41.1 91.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 54.409999999999997 110.951 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.95 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 62.039999999999999 110.75 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.21 79.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.031 -0.531 . . . . 60.240000000000002 110.628 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.537 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.0 mtt -67.27 -45.85 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 74.209999999999994 110.508 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -59.51 -23.37 62.76 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.011 0.434 . . . . 35.119999999999997 110.688 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.58 0.88 32.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 75.549999999999997 112.053 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 21.9 ptt180 -73.1 147.36 88.12 Favored Pre-proline 0 C--O 1.233 0.226 0 N-CA-C 110.209 -0.293 . . . . 71.030000000000001 110.209 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 42.3 Cg_endo -66.58 127.14 7.85 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.348 -1.522 . . . . 73.129999999999995 112.616 1.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 30.0 t-80 -80.74 162.84 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.84 -0.618 . . . . 71.540000000000006 109.763 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -141.8 112.45 7.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.437 -0.347 . . . . 74.299999999999997 110.188 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.4 p -137.0 129.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.352 -0.385 . . . . 74.209999999999994 110.225 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 t70 64.71 19.64 11.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.554 -0.748 . . . . 63.350000000000001 110.383 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.94 17.53 74.58 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 115.935 -0.575 . . . . 52.210000000000001 112.562 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -120.74 121.88 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.935 -0.394 . . . . 71.310000000000002 109.935 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 88.5 t -64.41 120.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 72.420000000000002 109.948 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -115.64 174.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.053 0.454 . . . . 71.219999999999999 111.41 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.81 105.7 29.58 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.648 -0.706 . . . . 73.099999999999994 109.498 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HB2' HD21 ' A' ' 16' ' ' LEU . 29.8 Cg_endo -89.96 107.68 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.057 2.505 . . . . 64.329999999999998 112.268 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.65 162.04 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 63.210000000000001 110.778 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 130.75 46.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.282 -0.417 . . . . 75.349999999999994 110.125 176.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.22 139.72 46.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.141 0.496 . . . . 71.109999999999999 111.326 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 109.03 -0.73 . . . . 73.209999999999994 109.03 175.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.722 0.296 . . . . 73.420000000000002 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.8 pt20 -68.23 -31.5 71.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.295 0.569 . . . . 65.120000000000005 110.362 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.8 tp -72.55 -38.93 67.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.554 -0.748 . . . . 44.32 110.547 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' HG2' HG13 ' A' ' 65' ' ' VAL . 95.9 mtt180 -81.06 -8.46 59.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.127 -0.942 . . . . 72.0 110.896 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 3.9 ttmp? -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.922 -0.581 . . . . 73.140000000000001 111.637 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.67 132.14 45.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.359 -0.837 . . . . 72.409999999999997 110.636 174.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 32.0 t80 -92.58 111.54 23.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.98 -0.748 . . . . 62.149999999999999 108.98 174.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 16' ' ' LEU . 19.3 mm -106.05 102.81 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.382 -0.372 . . . . 74.230000000000004 110.438 -175.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -111.48 147.05 17.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.252 -0.975 . . . . 73.209999999999994 112.45 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.69 53.68 2.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.986 -0.626 . . . . 54.240000000000002 112.68 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -123.89 166.36 15.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 51.049999999999997 110.882 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.19 160.97 23.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.11 -0.495 . . . . 74.400000000000006 111.726 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.53 1.3 30.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.476 0.655 . . . . 75.120000000000005 110.047 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -101.06 -14.32 17.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 74.299999999999997 109.597 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.66 ' HB ' HD13 ' A' ' 21' ' ' LEU . 33.2 m -72.27 109.66 6.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.197 -0.91 . . . . 73.430000000000007 110.576 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 28' ' ' GLU . 7.2 t -117.04 168.76 9.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.877 -0.601 . . . . 74.310000000000002 109.855 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.93 -50.7 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.752 0.658 . . . . 72.340000000000003 111.319 -175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.55 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.7 pt-20 -63.88 -44.68 92.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 74.129999999999995 111.95 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.8 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.14 0.495 . . . . 64.099999999999994 110.404 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.508 HD13 HG12 ' A' ' 45' ' ' VAL . 8.2 tt -76.76 -45.73 27.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.788 -0.642 . . . . 63.25 109.663 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.604 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 14.7 ptt180 -65.07 -34.15 77.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.029 -0.532 . . . . 72.340000000000003 110.229 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -62.25 -22.78 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 52.100000000000001 111.054 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.44 ' CD2' HG23 ' A' ' 79' ' ' VAL . 44.8 m-70 -89.65 -38.89 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.140000000000001 111.056 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 40' ' ' LEU . 51.4 m-85 -82.51 -19.44 38.69 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.182 0.438 . . . . 75.519999999999996 112.182 -176.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 40.6 mt-10 -74.49 9.33 1.78 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.781 0.324 . . . . 73.030000000000001 110.96 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -90.59 -24.33 20.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.533 -0.303 . . . . 72.209999999999994 111.425 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.82 13.66 18.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.967 0.413 . . . . 72.319999999999993 110.4 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.549 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.48 -176.55 38.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.325 -0.941 . . . . 72.310000000000002 113.239 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -99.54 123.21 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 64.129999999999995 111.152 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD22 ' HB ' ' A' ' 60' ' ' VAL . 19.8 mt -93.91 112.76 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 61.130000000000003 109.988 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.1 p -80.61 -29.86 36.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.384 0.611 . . . . 62.119999999999997 109.449 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 15.0 m-20 -138.3 87.01 2.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 61.340000000000003 109.683 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 1.3 p -111.15 117.7 33.95 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.654 -0.703 . . . . 64.439999999999998 110.122 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.09 139.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.466 . . . . 55.109999999999999 110.919 -173.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG12 HD13 ' A' ' 30' ' ' LEU . 23.9 m -101.6 163.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.348 -0.387 . . . . 75.519999999999996 110.096 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 C--N 1.318 -0.785 0 C-N-CA 120.596 -0.442 . . . . 74.420000000000002 110.423 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.847 ' HD3' ' HE2' ' A' ' 57' ' ' PHE . 5.7 ttt180 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.78 0.324 . . . . 74.230000000000004 110.946 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.68 13.21 5.72 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.729 -0.748 . . . . 52.32 112.124 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.847 ' HE2' ' HD3' ' A' ' 55' ' ' ARG . 10.5 p90 -165.53 166.26 18.39 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.943 -0.392 . . . . 72.109999999999999 109.943 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.58 -173.98 29.83 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.904 -0.665 . . . . 73.319999999999993 112.506 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 89.3 m-85 -131.96 150.32 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.336 0.588 . . . . 71.510000000000005 111.167 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.625 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -142.46 110.54 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.37 -0.832 . . . . 62.25 110.888 176.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 7.8 m -98.79 108.98 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.649 -0.705 . . . . 60.43 109.585 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HE2' HD12 ' A' ' 16' ' ' LEU . 63.4 m-85 -75.44 171.13 14.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.746 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.42 62.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.344 0.592 . . . . 63.240000000000002 109.841 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.556 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -151.31 156.11 40.12 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.33 -0.85 . . . . 62.0 109.799 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -62.3 -20.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 45.340000000000003 111.087 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.18 -36.82 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.685 . . . . 62.140000000000001 110.433 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HG3' HG23 ' A' ' 64' ' ' THR . 23.2 mt-10 -79.17 -35.34 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 74.530000000000001 110.138 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 72' ' ' MET . 31.4 t -56.37 -48.38 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.605 -0.725 . . . . 71.340000000000003 110.498 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.93 -38.94 83.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 73.129999999999995 110.952 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.08 93.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 75.140000000000001 110.658 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.47 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 75.540000000000006 110.392 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 38.8 mtt -70.54 -32.58 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 75.109999999999999 110.518 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -75.0 -15.6 60.65 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.019 0.437 . . . . 74.219999999999999 110.464 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.79 9.46 16.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.911 -0.586 . . . . 64.299999999999997 111.264 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 15.2 ptt180 -73.86 148.66 87.33 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.081 -0.509 . . . . 74.349999999999994 110.412 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 8.1 Cg_exo -71.84 124.17 8.47 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.615 -1.41 . . . . 72.230000000000004 111.544 -1.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 16.8 t-80 -67.85 155.44 39.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.249 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 5.2 tppp? -142.19 101.89 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 71.140000000000001 110.466 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 33' ' ' HIS . 1.4 p -126.71 126.58 68.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 70.049999999999997 109.947 176.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 65.13 21.41 12.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 75.319999999999993 110.189 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 79.19 12.21 84.23 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.857 -0.687 . . . . 42.109999999999999 111.969 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.9 tpt85 -111.67 127.44 55.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.066 -0.346 . . . . 73.239999999999995 110.066 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.2 t -78.61 107.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 109.826 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 33.2 m -100.51 172.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.046 -0.524 . . . . 74.310000000000002 111.195 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 43.9 tt0 -122.02 106.66 36.17 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.725 -0.67 . . . . 73.150000000000006 109.728 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 10.8 Cg_endo -88.89 108.68 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.156 2.571 . . . . 73.109999999999999 112.317 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -115.45 159.91 20.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.101 -0.499 . . . . 74.409999999999997 110.679 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -62.8 136.68 57.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.393 . . . . 63.420000000000002 110.022 175.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -80.47 157.68 26.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.318 0.58 . . . . 62.130000000000003 111.631 -177.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.247 -0.888 . . . . 72.129999999999995 109.237 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.9 tt0 . . . . . 0 C--O 1.223 -0.307 0 CA-C-O 120.715 0.293 . . . . 71.400000000000006 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.56 -50.95 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 72.319999999999993 111.317 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -90.27 -13.11 36.0 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.575 -0.45 . . . . 73.530000000000001 111.742 -172.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -95.88 -7.17 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.665 0.269 . . . . 70.030000000000001 111.008 177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -92.31 135.88 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 74.510000000000005 110.374 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.566 ' HG ' HG13 ' A' ' 68' ' ' VAL . 4.9 mt -95.58 128.1 42.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.761 -0.654 . . . . 55.130000000000003 110.746 174.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.23 113.8 25.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 63.549999999999997 109.199 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.4 mm -106.35 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.293 -0.412 . . . . 65.140000000000001 110.398 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 141.12 15.74 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.15 -1.024 . . . . 72.319999999999993 112.207 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.92 46.68 2.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.594 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.3 pp -117.34 170.03 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.58 0.229 . . . . 73.319999999999993 110.4 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 12.2 m -80.74 167.56 19.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.999 0.428 . . . . 73.549999999999997 111.058 -173.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -78.71 -5.27 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.232 0.539 . . . . 51.509999999999998 110.694 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -95.4 -7.1 39.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.65 . . . . 74.519999999999996 109.353 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 23.6 m -78.02 102.8 7.58 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.182 -0.917 . . . . 72.150000000000006 110.276 176.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' HG2' ' A' ' 28' ' ' GLU . 8.9 t -106.83 172.08 7.02 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.811 -0.44 . . . . 73.519999999999996 109.811 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG23 ' A' ' 45' ' ' VAL . 1.6 m-20 -50.15 -49.23 52.81 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.77 0.669 . . . . 72.25 111.74 -173.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.516 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 pt-20 -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 71.010000000000005 111.153 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.209 0.528 . . . . 75.109999999999999 109.931 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HA ' HG21 ' A' ' 79' ' ' VAL . 4.9 tt -75.48 -50.39 15.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.43 -0.804 . . . . 75.510000000000005 110.227 -173.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 ptm180 -60.74 -41.31 95.14 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.777 -0.369 . . . . 75.209999999999994 110.348 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 m -65.47 -22.54 66.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.876 0.37 . . . . 61.439999999999998 111.362 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -81.76 -46.19 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.763 0.316 . . . . 55.210000000000001 110.638 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' HB2' HD11 ' A' ' 40' ' ' LEU . 31.4 m-85 -79.15 -13.97 59.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.186 0.439 . . . . 62.039999999999999 112.186 -174.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 56.6 mt-10 -78.66 13.32 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 73.010000000000005 111.066 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.7 mt-30 -88.93 -33.64 17.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.209 0.528 . . . . 74.109999999999999 110.396 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 27.0 m-90 -102.79 9.64 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.871 -0.604 . . . . 62.119999999999997 110.556 -177.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.55 -170.73 39.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.256 -0.973 . . . . 45.409999999999997 113.345 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 32.3 m -106.87 124.29 49.4 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.503 0.321 . . . . 72.239999999999995 110.608 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.766 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.4 mt -93.94 108.26 20.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.103 -0.332 . . . . 74.340000000000003 110.103 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.9 p -82.99 -19.14 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.453 0.644 . . . . 62.229999999999997 109.72 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.586 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -145.82 97.28 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.119 -0.946 . . . . 62.43 109.863 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.71 143.65 49.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.65 0.262 . . . . 72.420000000000002 110.496 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.51 148.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 64.120000000000005 110.618 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG23 ' HA ' ' A' ' 27' ' ' ASP . 87.5 t -113.36 139.31 39.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.836 -0.431 . . . . 62.240000000000002 109.836 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 109.251 -0.648 . . . . 74.200000000000003 109.251 177.666 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.787 0.327 . . . . 72.420000000000002 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.66 13.48 7.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.509 -0.853 . . . . 60.32 112.608 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -161.77 164.0 29.19 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.718 0.294 . . . . 75.319999999999993 110.715 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.4 -169.96 22.51 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.282 -0.485 . . . . 74.450000000000003 112.317 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.494 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.7 m-85 -137.56 151.96 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 65.430000000000007 111.105 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.766 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -150.15 109.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 64.219999999999999 111.08 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 m -94.75 119.76 33.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.704 -0.68 . . . . 55.450000000000003 109.706 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' THR . 46.4 m-85 -84.71 169.47 14.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.38 -0.373 . . . . 73.140000000000001 110.931 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.6 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 61.219999999999999 110.572 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.494 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.2 t -156.72 158.03 36.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.749 -0.659 . . . . 62.310000000000002 110.398 178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 27.3 m -58.31 -33.64 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 113.224 0.824 . . . . 73.400000000000006 113.224 -173.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.65 -21.07 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.674 -0.41 . . . . 74.319999999999993 111.681 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 11.5 mt-10 -74.41 -32.54 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.231 -0.655 . . . . 73.340000000000003 109.231 174.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -63.57 -44.09 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.461 -0.791 . . . . 54.310000000000002 109.611 172.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.49 -46.99 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.454 -0.794 . . . . 70.120000000000005 110.414 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -40.1 79.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 41.210000000000001 111.398 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.16 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 51.109999999999999 111.036 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 45.5 mtt -69.02 -36.2 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.391 . . . . 65.120000000000005 110.5 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.72 -18.04 62.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.928 -0.578 . . . . 71.040000000000006 109.809 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.24 4.51 42.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.366 -0.834 . . . . 63.009999999999998 110.588 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.579 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 30.2 ttp180 -83.45 137.32 42.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 74.430000000000007 109.505 174.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.579 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 46.8 Cg_endo -66.83 128.01 9.11 Favored 'Cis proline' 0 C--N 1.344 0.326 0 C-N-CA 123.502 -1.457 . . . . 61.409999999999997 113.068 5.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.525 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 31.9 t-80 -84.89 167.52 15.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.428 -0.805 . . . . 73.109999999999999 109.934 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 4.1 tppp? -143.47 109.68 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.811 0.339 . . . . 62.229999999999997 110.977 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.6 p -138.65 128.98 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 63.210000000000001 109.86 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.519 ' OD2' ' HB2' ' A' ' 22' ' ' SER . 37.9 t70 65.14 28.1 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.634 0.73 . . . . 72.430000000000007 110.351 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.515 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 71.11 16.37 74.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.787 -0.721 . . . . 64.239999999999995 111.86 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 5.9 tpp180 -117.78 129.98 56.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.304 -0.258 . . . . 62.439999999999998 110.304 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -78.91 118.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 42.030000000000001 109.914 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 32.7 m -113.51 163.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 74.540000000000006 111.405 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.35 105.04 51.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 53.450000000000003 110.19 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 9.5 Cg_endo -88.59 114.29 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.322 2.682 . . . . 74.019999999999996 112.478 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -126.74 159.76 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.511 -0.313 . . . . 72.099999999999994 110.863 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.67 132.41 53.76 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.315 -0.254 . . . . 73.430000000000007 110.315 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -80.01 162.9 24.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 71.209999999999994 112.054 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.428 -0.806 . . . . 73.310000000000002 109.278 176.166 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.494 0.188 . . . . 74.340000000000003 110.772 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -51.39 -58.84 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 62.43 112.207 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -8.45 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.469 -0.492 . . . . 70.040000000000006 111.478 -171.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtm105 -91.51 -17.64 25.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.825 -0.435 . . . . 72.129999999999995 109.825 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -84.53 128.79 34.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.36 0.6 . . . . 75.140000000000001 109.835 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 60' ' ' VAL . 9.7 tp -99.12 126.57 44.9 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.225 -0.898 . . . . 72.549999999999997 109.741 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -83.98 112.8 20.5 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.365 -0.606 . . . . 74.030000000000001 109.365 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 15.8 mm -104.42 92.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.951 -0.568 . . . . 71.310000000000002 109.934 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 57' ' ' PHE . . . -101.14 142.49 15.77 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.179 -1.01 . . . . 63.420000000000002 110.921 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 40.52 5.78 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.357 -0.925 . . . . 75.439999999999998 112.055 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -105.48 166.11 10.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.093 -0.706 . . . . 74.239999999999995 109.093 173.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.0 p -75.64 175.22 8.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 75.409999999999997 111.678 -170.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -85.8 2.19 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.274 0.559 . . . . 74.329999999999998 109.798 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -108.42 -10.68 15.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 75.439999999999998 109.704 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.6 m -64.57 126.37 27.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.757 -0.656 . . . . 61.409999999999997 109.918 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -131.82 165.79 23.04 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.144 -0.317 . . . . 64.129999999999995 110.144 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.3 m-20 -52.09 -40.84 61.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 71.120000000000005 111.647 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.35 -41.58 76.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 72.219999999999999 111.686 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 p -77.98 -31.27 50.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.145 -0.622 . . . . 75.239999999999995 109.535 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 45' ' ' VAL . 18.2 tp -61.73 -46.03 91.41 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.744 -0.662 . . . . 54.219999999999999 109.494 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.569 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.0 ptm180 -66.94 -43.22 83.76 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.373 -0.531 . . . . 71.530000000000001 109.898 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -62.34 -33.04 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.823 0.344 . . . . 72.420000000000002 111.703 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.405 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 21.8 m80 -81.62 -15.97 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.859 0.318 . . . . 72.420000000000002 111.859 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 40.3 m-85 -112.23 -19.22 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.793 0.664 . . . . 63.130000000000003 112.793 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' CD ' ' HE ' ' A' ' 31' ' ' ARG . 41.4 mt-10 -77.34 13.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.463 0.649 . . . . 63.229999999999997 110.344 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.3 mt-30 -79.58 -37.44 36.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 72.140000000000001 110.751 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.4 m-90 -107.39 10.52 29.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.499 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.37 -165.99 38.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.075 -1.06 . . . . 31.149999999999999 113.442 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.1 m -115.53 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 122.569 0.348 . . . . 75.129999999999995 110.566 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 60' ' ' VAL . 35.1 mt -92.96 109.91 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.206 0.527 . . . . 73.140000000000001 110.487 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.8 p -81.16 -17.79 48.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.499 -0.773 . . . . 73.420000000000002 110.094 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 61' ' ' THR . 25.4 t70 -148.31 105.39 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 63.210000000000001 110.519 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.31 131.5 56.5 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 110.019 -0.363 . . . . 63.450000000000003 110.019 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.34 125.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 62.030000000000001 111.115 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HD22 ' A' ' 30' ' ' LEU . 74.6 t -100.46 145.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.468 -0.568 . . . . 71.420000000000002 109.468 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.427 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 25.2 mmt . . . . . 0 C--N 1.322 -0.624 0 N-CA-C 109.865 -0.42 . . . . 70.310000000000002 109.865 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 121.008 0.432 . . . . 74.299999999999997 110.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.07 13.12 66.86 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.654 -0.784 . . . . 62.109999999999999 112.705 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 27.8 p90 -160.98 157.15 25.88 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.044 0.45 . . . . 63.439999999999998 111.2 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.71 -177.15 28.65 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.707 -0.679 . . . . 52.439999999999998 111.472 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -135.45 150.81 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.313 0.578 . . . . 65.340000000000003 111.311 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.678 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -148.92 111.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.203 -0.908 . . . . 74.319999999999993 110.618 -176.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -94.53 114.37 26.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.484 -0.78 . . . . 74.109999999999999 110.333 -176.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' THR . 64.9 m-85 -80.11 166.36 21.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.785 0.326 . . . . 74.25 110.907 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.12 -34.22 70.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.241 0.543 . . . . 73.230000000000004 110.016 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.7 t -143.19 154.25 43.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.456 -0.793 . . . . 61.25 109.893 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -55.72 -26.07 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.409999999999997 111.569 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.37 -43.85 75.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.341 0.591 . . . . 74.409999999999997 110.91 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 64' ' ' THR . 20.9 mt-10 -71.47 -34.25 70.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 72.040000000000006 110.333 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 16' ' ' LEU . 48.3 t -58.57 -48.47 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.551 -0.749 . . . . 73.209999999999994 110.285 174.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -57.61 -45.69 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.789 -0.641 . . . . 61.539999999999999 110.361 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.84 80.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 74.019999999999996 111.246 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.24 78.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.384 -0.371 . . . . 72.120000000000005 111.172 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.4 mtt -69.93 -31.47 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 74.239999999999995 110.725 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -80.98 -12.28 59.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 71.140000000000001 111.182 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.64 10.68 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.887 0.375 . . . . 62.43 111.741 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.673 ' HD3' ' HD2' ' A' ' 86' ' ' PRO . 87.2 mtm180 -75.42 157.74 84.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.396 -0.366 . . . . 71.200000000000003 110.825 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 21.0 Cg_exo -65.09 130.01 10.21 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.932 -1.278 . . . . 71.239999999999995 112.888 1.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -80.77 147.9 30.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 64.319999999999993 110.202 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.0 tppt? -131.89 112.59 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 71.439999999999998 110.528 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.403 HG21 ' CE2' ' A' ' 34' ' ' PHE . 90.5 t -124.82 119.35 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.249 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.75 25.04 14.04 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.537 0.684 . . . . 41.219999999999999 110.701 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 81.85 7.66 87.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.592 -0.813 . . . . 72.129999999999995 111.99 -177.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -113.39 125.73 54.57 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.493 0.317 . . . . 74.409999999999997 110.184 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.63 114.6 10.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.822 -0.436 . . . . 71.230000000000004 109.822 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -103.76 172.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.953 -0.567 . . . . 70.319999999999993 110.703 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 44.7 tt0 -126.43 105.88 24.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 74.129999999999995 109.675 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.673 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 10.5 Cg_endo -88.47 111.19 0.63 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.251 2.634 . . . . 53.100000000000001 112.403 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -121.29 159.25 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.941 -0.572 . . . . 60.530000000000001 110.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.452 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -60.77 131.82 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.097 -0.334 . . . . 73.450000000000003 110.097 177.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.05 141.7 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.37 0.605 . . . . 63.350000000000001 111.704 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.4 -0.818 . . . . 74.450000000000003 109.566 176.691 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.364 0 N-CA-C 109.857 -0.423 . . . . 74.040000000000006 109.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.7 tt0 -56.6 -57.56 11.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.047 -0.524 . . . . 63.039999999999999 111.633 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -74.1 -10.88 60.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.101 0.477 . . . . 70.140000000000001 110.836 -173.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -102.78 -6.57 22.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.96 -0.563 . . . . 74.510000000000005 110.537 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.2 ttmm -95.39 130.4 42.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.52 0.676 . . . . 72.040000000000006 110.888 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' HG23 ' A' ' 60' ' ' VAL . 6.2 mt -97.19 131.06 44.29 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.094 -0.957 . . . . 64.099999999999994 110.478 174.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.535 ' HB3' ' HG2' ' A' ' 87' ' ' LYS . 14.7 t80 -90.53 115.27 27.54 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.044 -0.724 . . . . 73.209999999999994 109.044 175.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 mm -107.24 97.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.829 0.347 . . . . 64.120000000000005 110.31 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.95 143.98 15.77 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.139 -1.029 . . . . 52.420000000000002 112.425 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.04 47.58 5.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 74.409999999999997 112.761 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.7 pp -109.43 170.52 8.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.732 0.266 . . . . 73.120000000000005 110.318 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.6 p -73.03 164.93 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.204 0.526 . . . . 43.200000000000003 111.238 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.91 3.35 34.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.28 0.562 . . . . 75.319999999999993 109.969 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 22.1 mt-10 -104.08 -9.02 19.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.595 -0.73 . . . . 74.430000000000007 109.048 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.3 m -65.08 99.63 0.38 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.546 -0.752 . . . . 73.030000000000001 110.751 176.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 t -94.68 157.35 16.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.874 -0.603 . . . . 72.319999999999993 109.601 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 6.7 m-20 -50.9 -42.59 59.42 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.628 0.58 . . . . 71.540000000000006 111.542 -174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.34 -40.39 93.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 74.349999999999994 111.252 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.557 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 34.6 m -71.17 -38.72 72.15 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.443 -0.577 . . . . 64.400000000000006 109.443 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 45' ' ' VAL . 2.9 tm? -61.46 -49.12 78.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.282 -0.872 . . . . 61.219999999999999 109.878 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptm180 -64.65 -40.43 95.44 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.588 -0.445 . . . . 71.329999999999998 110.284 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -59.59 -38.39 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 72.340000000000003 111.507 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' HD2' ' O ' ' A' ' 29' ' ' SER . 66.6 m-70 -78.45 -20.47 50.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.629 -0.26 . . . . 75.120000000000005 111.592 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.1 m-85 -103.2 -20.46 14.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.37 0.507 . . . . 71.219999999999999 112.37 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 81.2 mt-10 -75.99 13.42 0.87 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.066 0.46 . . . . 75.230000000000004 110.989 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -90.79 -25.34 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 70.129999999999995 111.106 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.547 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.0 m-90 -112.84 13.33 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 72.340000000000003 110.274 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.77 -166.03 39.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.528 -0.844 . . . . 61.119999999999997 112.952 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 53.8 m -115.87 120.95 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.472 0.309 . . . . 61.350000000000001 110.355 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.667 HD22 ' HB ' ' A' ' 60' ' ' VAL . 31.0 mt -90.71 106.52 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.391 -0.524 . . . . 74.140000000000001 110.736 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.6 p -75.29 -28.48 59.76 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 73.319999999999993 109.347 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.9 t70 -139.91 98.99 3.58 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.762 -1.108 . . . . 73.219999999999999 110.275 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.08 132.98 55.21 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.7 -0.481 . . . . 74.420000000000002 109.7 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 7.3 p -162.81 129.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.296 0.569 . . . . 74.450000000000003 111.382 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.492 HG22 ' HG ' ' A' ' 30' ' ' LEU . 54.1 t -92.72 131.78 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.487 -0.931 . . . . 72.019999999999996 108.487 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 mmt . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 121.792 0.806 . . . . 73.25 110.115 -179.374 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 N--CA 1.457 -0.114 0 N-CA-C 112.332 0.493 . . . . 71.239999999999995 112.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.51 10.89 18.68 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.056 -1.068 . . . . 73.030000000000001 112.48 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 7.1 p90 -162.06 161.29 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.138 -0.319 . . . . 74.209999999999994 110.138 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 45' ' ' VAL . . . -162.26 -167.71 23.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.946 -0.645 . . . . 64.549999999999997 112.764 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -134.95 156.8 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 74.140000000000001 111.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.98 109.95 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-N 115.723 -0.671 . . . . 73.310000000000002 111.142 178.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 6.0 m -93.93 115.33 27.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.768 -0.651 . . . . 74.129999999999995 109.34 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.46 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.6 m-85 -82.61 171.56 13.92 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.268 -0.423 . . . . 74.219999999999999 110.344 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.15 -26.53 63.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 54.030000000000001 109.786 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 66' ' ' GLU . 9.3 t -161.83 174.62 12.91 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 71.129999999999995 110.388 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.12 -36.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.798 0.666 . . . . 74.430000000000007 112.798 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 64' ' ' THR . 2.9 pm0 -62.76 -19.61 64.15 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.901 0.334 . . . . 74.129999999999995 111.901 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.2 mt-10 -80.08 -42.83 22.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.765 -0.458 . . . . 74.439999999999998 109.765 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 16' ' ' LEU . 26.4 t -56.54 -45.35 82.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 72.239999999999995 110.123 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.55 -45.19 73.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.313 -0.858 . . . . 61.140000000000001 110.931 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.42 87.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 51.520000000000003 110.942 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.11 69.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.294 -0.412 . . . . 73.129999999999995 110.602 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 40.1 mtt -72.32 -36.64 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.299 -0.409 . . . . 70.420000000000002 110.039 176.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.67 -9.26 57.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.068 -0.515 . . . . 72.510000000000005 110.526 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -1.33 57.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.849 -0.614 . . . . 71.239999999999995 110.608 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.662 ' HG3' ' HA ' ' A' ' 76' ' ' PRO . 43.5 ttp180 -74.03 139.92 76.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 72.329999999999998 110.092 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.662 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . 52.7 Cg_endo -68.55 123.86 6.49 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.477 -1.468 . . . . 63.210000000000001 112.896 2.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.534 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 23.9 t-80 -75.45 161.15 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 75.310000000000002 109.739 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -143.44 111.94 6.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.417 -0.356 . . . . 72.530000000000001 110.044 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -136.81 128.95 44.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.998 -0.546 . . . . 61.210000000000001 110.337 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 24' ' ' GLU . 8.2 t70 64.07 19.82 11.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.558 -0.746 . . . . 60.530000000000001 110.711 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.66 15.52 73.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.849 -0.691 . . . . 62.399999999999999 112.176 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.8 tpt180 -119.79 132.71 55.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 73.329999999999998 110.506 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.16 122.28 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 64.010000000000005 109.861 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -120.36 164.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.103 0.477 . . . . 74.319999999999993 111.626 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -117.84 107.74 43.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.481 -0.781 . . . . 60.240000000000002 109.884 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -91.04 115.72 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.185 2.59 . . . . 54.539999999999999 112.309 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 18.5 ptpt -121.62 160.42 24.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 53.140000000000001 110.728 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 119.41 7.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.54 -0.541 . . . . 74.430000000000007 109.54 176.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -74.26 130.64 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.124 0.488 . . . . 62.530000000000001 111.073 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.962 -0.563 . . . . 73.319999999999993 109.865 175.741 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.591 ' HG2' ' HE2' ' A' ' 15' ' ' LYS . 45.0 tt0 . . . . . 0 C--O 1.214 -0.774 0 N-CA-C 110.563 -0.162 . . . . 63.149999999999999 110.563 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -60.34 -30.97 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.29 0.567 . . . . 73.430000000000007 110.255 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.32 -41.04 77.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.592 -0.731 . . . . 74.519999999999996 110.488 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -90.97 -5.0 56.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.212 -0.904 . . . . 72.099999999999994 111.161 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.6 ttmm -96.49 131.99 42.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.014 -0.539 . . . . 71.129999999999995 109.871 -177.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -100.1 128.48 46.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.418 -0.81 . . . . 72.209999999999994 109.953 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 26.7 t80 -85.9 117.73 24.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.168 -0.679 . . . . 73.219999999999999 109.168 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 9.7 mm -107.95 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.61 -0.268 . . . . 74.25 110.337 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.32 140.43 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.861 . . . . 64.420000000000002 110.946 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.53 1.77 26.02 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.344 -0.931 . . . . 61.32 112.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.4 pp -82.46 163.03 21.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 73.209999999999994 111.114 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.7 p -77.83 177.71 7.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 74.109999999999999 111.304 -172.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -85.76 2.66 44.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 74.329999999999998 109.837 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.81 -9.53 18.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 65.140000000000001 109.862 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.683 ' HB ' HD13 ' A' ' 21' ' ' LEU . 37.2 m -71.85 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.438 -0.801 . . . . 71.040000000000006 111.032 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 29' ' ' SER . 3.0 t -84.88 161.9 19.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 74.540000000000006 110.311 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.3 p-10 -59.01 -42.97 91.4 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.037 0.446 . . . . 62.409999999999997 111.252 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.19 -42.21 98.17 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.513 -0.767 . . . . 72.420000000000002 111.383 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.543 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 32.6 t -70.08 -39.13 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.251 -0.648 . . . . 63.43 109.251 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 25' ' ' THR . 2.4 tm? -63.59 -44.06 95.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 74.319999999999993 109.525 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 20.3 ptt85 -67.27 -39.13 86.03 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.766 -0.374 . . . . 70.430000000000007 110.127 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -60.66 -34.89 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 72.010000000000005 110.927 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.543 ' HD2' ' O ' ' A' ' 29' ' ' SER . 62.3 m-70 -81.17 -28.31 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.603 -0.271 . . . . 65.450000000000003 111.523 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 40.4 m-85 -95.54 -15.89 22.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.495 0.554 . . . . 73.219999999999999 112.495 -177.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 64.9 mt-10 -80.4 10.43 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 75.140000000000001 110.673 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -82.84 -36.23 25.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.618 -0.719 . . . . 71.219999999999999 111.028 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -106.0 1.73 26.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.696 0.284 . . . . 73.340000000000003 110.968 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.6 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -179.2 174.13 46.12 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.019 -1.086 . . . . 53.229999999999997 113.24 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 66.3 m -93.69 126.63 38.97 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.571 0.348 . . . . 71.230000000000004 110.74 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.823 HD22 ' HB ' ' A' ' 60' ' ' VAL . 25.8 mt -98.07 111.02 23.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 73.030000000000001 110.27 175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -83.12 -21.96 33.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.426 0.631 . . . . 65.510000000000005 109.984 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 31.5 t70 -141.23 102.7 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.382 -0.826 . . . . 53.130000000000003 110.328 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.3 p -112.59 128.71 56.44 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.388 -0.369 . . . . 65.239999999999995 110.017 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.77 131.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.288 0.566 . . . . 72.150000000000006 110.968 -177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 27' ' ' ASP . 54.4 t -115.69 135.53 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.999 -0.546 . . . . 73.439999999999998 109.761 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.972 -0.558 . . . . 74.219999999999999 110.172 -177.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 N--CA 1.46 0.059 0 N-CA-C 111.834 0.309 . . . . 62.43 111.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.45 5.92 74.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.564 -0.826 . . . . 53.43 112.59 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 11.4 p90 -158.46 161.37 37.43 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.991 0.424 . . . . 72.109999999999999 111.312 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 -178.98 31.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.512 -0.767 . . . . 72.030000000000001 111.455 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.52 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.4 m-85 -134.47 148.74 50.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 75.439999999999998 111.18 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.823 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -143.96 111.49 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.42 -0.809 . . . . 73.099999999999994 111.104 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.1 m -90.75 115.4 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 74.5 109.343 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 65.1 m-85 -81.78 164.06 21.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 75.129999999999995 110.736 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.682 -0.69 . . . . 74.319999999999993 110.801 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.543 HG23 ' HG2' ' A' ' 67' ' ' GLU . 3.0 t -160.07 163.21 34.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.417 -0.811 . . . . 74.439999999999998 109.834 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.59 -28.44 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 60.100000000000001 111.259 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.72 -34.29 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 74.439999999999998 111.108 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.0 mm-40 -68.97 -39.11 79.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.815 -0.629 . . . . 51.149999999999999 109.834 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 16' ' ' LEU . 36.3 t -60.64 -44.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.158 -0.928 . . . . 61.350000000000001 111.196 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.52 -46.06 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.406 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.551 -0.295 . . . . 74.120000000000005 111.08 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.83 89.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.18 -0.464 . . . . 55.119999999999997 111.034 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.1 mtt -66.97 -37.04 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.363 -0.381 . . . . 72.439999999999998 110.676 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 84.2 m-20 -69.15 -17.02 63.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 75.200000000000003 110.898 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.33 23.98 1.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 71.299999999999997 111.346 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -72.35 146.65 89.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 71.120000000000005 110.224 178.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.52 130.37 18.21 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.694 -1.378 . . . . 62.149999999999999 111.425 -2.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.036 -0.529 . . . . 74.450000000000003 110.364 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -141.2 103.52 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 110.367 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 130.46 71.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.976 -0.556 . . . . 75.430000000000007 109.906 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.35 28.24 17.73 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.699 0.762 . . . . 73.299999999999997 109.859 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.99 17.81 72.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 73.140000000000001 111.905 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -114.71 135.83 53.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.232 -0.284 . . . . 61.509999999999998 110.232 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.35 121.27 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.931 -0.396 . . . . 75.219999999999999 109.931 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -117.52 170.27 7.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 74.409999999999997 111.009 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 37.1 mt-10 -118.65 107.82 42.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.941 -0.572 . . . . 75.25 109.804 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HB2' HD21 ' A' ' 16' ' ' LEU . 18.8 Cg_endo -89.55 106.14 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 123.064 2.509 . . . . 72.430000000000007 111.826 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -118.85 167.6 11.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.879 -175.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.32 141.69 58.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.997 -0.372 . . . . 75.209999999999994 109.997 177.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.07 143.3 27.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.178 0.513 . . . . 70.299999999999997 111.702 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 109.028 -0.73 . . . . 73.540000000000006 109.028 174.421 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.223 -0.34 0 CA-C-O 120.393 0.14 . . . . 73.040000000000006 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.15 -28.76 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.031 0.443 . . . . 70.219999999999999 110.968 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.49 0.662 . . . . 62.100000000000001 110.186 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -85.39 -6.29 59.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.904 -1.044 . . . . 61.009999999999998 110.618 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.8 ttmm -99.63 134.92 41.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.465 0.65 . . . . 73.040000000000006 110.62 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.621 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.71 134.18 42.98 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.081 -0.963 . . . . 73.129999999999995 110.863 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -93.71 111.83 23.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.868 -0.79 . . . . 62.450000000000003 108.868 173.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 16' ' ' LEU . 13.1 mm -105.88 98.38 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.368 -0.378 . . . . 73.510000000000005 110.164 -175.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -109.77 144.17 16.74 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.02 -1.086 . . . . 65.239999999999995 112.177 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.73 43.73 5.99 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.761 -0.733 . . . . 64.200000000000003 112.584 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.671 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -105.7 165.2 11.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 74.5 111.129 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.3 t -59.93 149.96 30.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 73.019999999999996 110.945 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.13 -12.02 61.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.155 0.502 . . . . 64.400000000000006 110.378 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.55 -7.73 49.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.329 0.585 . . . . 72.310000000000002 109.903 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 87.1 m -75.41 96.17 3.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.452 -0.795 . . . . 73.510000000000005 110.857 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.444 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.6 t -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.607 -0.724 . . . . 64.129999999999995 109.443 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.8 p-10 -52.3 -45.66 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.88 0.472 . . . . 42.439999999999998 111.985 -171.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.5 pt-20 -63.99 -34.69 78.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.798 -0.637 . . . . 72.030000000000001 111.701 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -79.5 -35.97 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.729 -0.841 . . . . 73.239999999999995 108.729 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD23 HG21 ' A' ' 25' ' ' THR . 2.9 tm? -64.96 -43.07 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.067 . . . . 72.150000000000006 109.551 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.8 ptm180 -66.71 -42.2 86.74 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.739 -0.384 . . . . 74.329999999999998 109.995 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.92 -27.12 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.519999999999996 111.329 -176.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -79.48 -48.38 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.375 . . . . 73.530000000000001 110.678 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 40' ' ' LEU . 29.1 m-85 -75.94 -18.81 59.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.369 0.507 . . . . 72.420000000000002 112.369 -174.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.3 mt-10 -75.74 11.88 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 70.510000000000005 111.084 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 43.7 mt-30 -85.47 -30.19 23.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 74.109999999999999 111.101 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 22.0 m-90 -108.33 14.29 24.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 75.010000000000005 110.273 -177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.79 -159.97 32.73 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.608 -0.806 . . . . 74.049999999999997 112.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 m -122.85 124.77 44.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.652 0.263 . . . . 63.520000000000003 110.662 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.1 mt -91.43 104.3 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 70.0 110.431 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.9 p -71.8 -23.2 61.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.833 0.825 . . . . 51.439999999999998 109.393 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 24.7 t70 -142.24 125.07 16.03 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.739 -1.118 . . . . 52.049999999999997 109.44 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.4 p -144.22 131.29 20.53 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.992 0.425 . . . . 71.140000000000001 110.371 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 p -164.55 138.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 72.140000000000001 110.857 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 27' ' ' ASP . 34.0 m -108.43 151.28 10.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.762 -0.829 . . . . 75.030000000000001 108.762 172.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 C--N 1.315 -0.902 0 N-CA-C 109.114 -0.699 . . . . 64.319999999999993 109.114 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mmt180 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.694 0.283 . . . . 72.109999999999999 110.971 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.61 18.17 49.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 74.540000000000006 112.519 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 22.0 p90 -170.85 161.94 7.34 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.41 -0.218 . . . . 73.340000000000003 110.41 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.36 -171.64 25.45 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.078 -0.582 . . . . 72.109999999999999 112.69 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -133.46 153.66 51.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 75.129999999999995 110.806 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -149.18 112.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 61.530000000000001 111.662 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.0 m -98.48 116.0 29.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.588 -0.733 . . . . 71.329999999999998 109.477 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.3 m-85 -80.24 176.49 9.72 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.126 0.489 . . . . 73.540000000000006 111.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.3 64.39 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.769 -0.65 . . . . 42.310000000000002 109.791 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.6 t -148.94 163.88 36.17 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.579 -0.737 . . . . 70.519999999999996 110.733 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.758 HG23 HH21 ' A' ' 88' ' ' ARG . 2.7 p -59.75 -32.03 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 73.5 111.528 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.89 -38.68 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 75.519999999999996 111.542 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 27.3 mt-10 -72.16 -36.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 73.439999999999998 110.686 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 72' ' ' MET . 21.0 t -59.02 -46.29 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.023 -0.535 . . . . 42.530000000000001 110.549 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.44 -41.26 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 74.519999999999996 110.932 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.53 87.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.726 0.298 . . . . 32.130000000000003 110.789 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.49 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.115 0.483 . . . . 74.439999999999998 110.449 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.0 mtt -70.13 -38.5 75.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 65.120000000000005 110.482 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -69.33 -16.13 63.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 65.140000000000001 110.857 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.19 -2.17 47.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 75.0 110.941 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 73.5 ttt180 -67.72 141.61 95.15 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.072 -0.513 . . . . 63.439999999999998 109.912 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 2.8 Cg_exo -71.93 117.47 3.79 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.903 -1.29 . . . . 72.140000000000001 112.52 4.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.64 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 25.0 t-80 -75.21 133.06 41.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.206 -0.906 . . . . 73.120000000000005 110.142 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -117.85 110.27 17.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.655 0.264 . . . . 72.400000000000006 110.359 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.78 124.39 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.673 -0.24 . . . . 54.520000000000003 110.805 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 67.82 -58.31 0.44 Allowed 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.254 0.971 . . . . 71.200000000000003 111.179 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.84 33.62 0.03 OUTLIER Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.714 -1.355 . . . . 53.299999999999997 109.714 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -148.53 121.83 9.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.483 -0.859 . . . . 74.319999999999993 109.34 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.64 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 1.3 p -78.27 119.43 27.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.523 0.678 . . . . 62.340000000000003 110.586 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 21' ' ' LEU . 24.6 m -99.95 -178.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.972 -1.013 . . . . 73.519999999999996 111.554 -171.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -127.63 104.11 21.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.382 -0.826 . . . . 60.149999999999999 109.443 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -90.55 106.27 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.026 2.484 . . . . 75.310000000000002 112.459 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -113.98 165.47 12.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.629 . . . . 45.109999999999999 110.537 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.758 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -67.51 139.95 57.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.547 -0.297 . . . . 71.299999999999997 110.333 176.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.74 150.18 37.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.35 0.595 . . . . 73.439999999999998 111.032 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.339 -0.846 . . . . 74.120000000000005 108.952 178.558 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.154 0 CA-C-O 121.911 0.862 . . . . 73.219999999999999 109.205 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.3 -51.1 71.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.56 -1.2 . . . . 71.430000000000007 110.66 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.92 -14.65 44.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.734 0.302 . . . . 72.430000000000007 111.159 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -93.81 -4.31 50.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 73.209999999999994 110.683 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 3.0 ttmp? -97.7 130.76 44.66 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.876 -0.602 . . . . 64.409999999999997 110.406 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 6.1 mt -98.43 130.79 45.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 64.299999999999997 110.371 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.456 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 17.4 t80 -90.33 110.14 21.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.793 -0.639 . . . . 74.219999999999999 109.315 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.441 HG22 HD23 ' A' ' 21' ' ' LEU . 15.8 mm -105.81 102.27 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-O 120.963 0.411 . . . . 71.530000000000001 110.373 -176.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -113.52 149.2 18.65 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.165 -1.017 . . . . 43.030000000000001 112.248 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 32.78 24.59 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.811 -0.709 . . . . 61.43 112.596 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.662 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.5 pp -96.46 168.11 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 72.340000000000003 111.649 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.427 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 30.9 t -60.73 145.04 50.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.323 -0.853 . . . . 61.520000000000003 110.727 -178.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.26 -5.33 38.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.097 0.475 . . . . 75.319999999999993 110.341 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -103.24 3.9 36.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.635 -0.711 . . . . 75.150000000000006 109.477 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.662 ' HB ' HD13 ' A' ' 21' ' ' LEU . 88.5 m -84.95 101.09 12.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.08 -0.963 . . . . 64.310000000000002 110.136 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.2 t -107.76 -172.46 2.07 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.734 -0.469 . . . . 62.049999999999997 109.734 176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -45.11 -58.36 3.28 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 123.411 0.684 . . . . 74.310000000000002 112.225 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.55 -40.15 96.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.06 -0.518 . . . . 53.329999999999998 110.99 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -65.59 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.196 0.522 . . . . 72.150000000000006 109.884 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 45' ' ' VAL . 29.3 tp -76.95 -48.52 17.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.627 -0.715 . . . . 74.530000000000001 110.328 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.0 ptp180 -63.87 -40.42 96.51 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.698 -0.401 . . . . 73.209999999999994 110.609 -174.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -66.07 -31.48 72.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.676 0.25 . . . . 61.25 111.676 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.531 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 18.6 m80 -89.85 -4.27 57.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.7 -0.4 . . . . 74.200000000000003 111.78 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -112.92 -21.38 11.16 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 53.520000000000003 111.863 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 40.2 mt-10 -73.58 11.08 0.88 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.967 0.413 . . . . 64.340000000000003 111.221 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -90.91 -18.64 24.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 75.420000000000002 110.91 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -118.83 15.51 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.216 0.531 . . . . 72.420000000000002 109.997 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.58 -170.5 38.17 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.139 -1.029 . . . . 43.009999999999998 113.505 177.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -107.94 123.86 49.27 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 122.761 0.424 . . . . 54.539999999999999 110.471 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 ' HG ' ' HG2' ' A' ' 35' ' ' GLU . 8.8 mt -92.36 109.04 20.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.066 -0.654 . . . . 73.239999999999995 110.435 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 p -78.4 -30.49 47.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.917 -0.583 . . . . 75.430000000000007 109.439 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 13.1 m-20 -140.12 92.4 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 71.400000000000006 111.12 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -109.62 137.61 47.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.709 -0.678 . . . . 65.230000000000004 109.176 175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -164.8 146.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.919 -0.313 . . . . 75.540000000000006 110.695 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 30' ' ' LEU . 34.2 m -117.17 156.63 18.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.152 -0.314 . . . . 74.430000000000007 110.152 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 C--N 1.322 -0.61 0 N-CA-C 109.504 -0.554 . . . . 73.030000000000001 109.504 178.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.698 0.285 . . . . 74.25 111.534 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.49 18.69 70.43 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 43.039999999999999 112.966 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 3.3 p90 -167.07 157.92 11.82 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.852 0.358 . . . . 62.420000000000002 110.424 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.47 -172.61 29.06 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 116.163 -0.472 . . . . 63.109999999999999 111.978 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 96.0 m-85 -132.92 151.26 52.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.696 . . . . 75.200000000000003 111.549 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -143.49 107.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.917 -1.038 . . . . 70.349999999999994 110.174 -178.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 11.0 m -100.44 113.76 26.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.686 -0.688 . . . . 74.120000000000005 110.064 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HE2' HD12 ' A' ' 16' ' ' LEU . 62.5 m-85 -80.28 174.22 11.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.048 -0.524 . . . . 70.439999999999998 110.753 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.91 -34.11 62.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 75.439999999999998 110.214 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 66' ' ' GLU . 3.8 t -147.38 158.37 43.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.643 -0.708 . . . . 61.399999999999999 110.234 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.24 -32.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.698 . . . . 64.409999999999997 112.803 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.4 pt-20 -63.31 -28.46 70.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.793 0.33 . . . . 70.409999999999997 111.201 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -74.27 -40.29 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.239999999999995 109.896 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 16' ' ' LEU . 24.8 t -57.81 -45.28 87.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 72.140000000000001 109.742 172.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.28 -41.07 92.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.319 -0.855 . . . . 70.329999999999998 110.871 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.3 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 51.530000000000001 110.878 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.63 74.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 55.399999999999999 110.411 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 27.7 mtt -69.56 -33.95 73.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 110.55 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.55 -18.27 62.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.065 0.459 . . . . 72.400000000000006 110.383 175.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.25 4.93 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.879 -0.601 . . . . 71.140000000000001 111.746 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.592 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 9.1 ptm180 -80.73 155.45 73.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.923 -0.399 . . . . 71.140000000000001 109.923 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 27.9 Cg_endo -62.22 128.19 5.54 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.472 -1.47 . . . . 73.010000000000005 112.277 0.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 27.3 t-80 -78.24 156.55 29.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 72.409999999999997 110.084 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -140.0 112.34 7.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.143 -0.48 . . . . 71.409999999999997 109.931 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.46 131.01 65.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.29 -0.413 . . . . 74.310000000000002 110.359 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 32.1 t70 69.1 -57.89 0.51 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.279 0.987 . . . . 64.109999999999999 110.935 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 170.07 29.58 0.02 OUTLIER Glycine 0 C--N 1.315 -0.617 0 N-CA-C 110.561 -1.015 . . . . 74.530000000000001 110.561 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -136.36 133.26 36.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.271 -0.465 . . . . 75.010000000000005 110.259 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 65.5 t -77.01 122.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.628 -0.508 . . . . 71.120000000000005 109.628 174.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 21' ' ' LEU . 33.1 m -119.02 167.65 12.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 75.129999999999995 111.648 -175.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -117.76 106.94 45.17 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.404 -0.817 . . . . 74.040000000000006 109.488 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -92.43 106.21 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.122 2.548 . . . . 71.420000000000002 112.168 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 9.3 ptpp? -113.14 156.99 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.434 -0.348 . . . . 73.540000000000006 110.827 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.92 126.55 27.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 73.450000000000003 109.555 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -78.69 147.99 33.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.288 0.566 . . . . 33.439999999999998 111.836 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.375 -0.829 . . . . 54.450000000000003 109.341 175.383 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--O 1.226 -0.141 0 CA-C-O 120.744 0.307 . . . . 73.510000000000005 110.424 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' A' ' 90' ' ' VAL . 47.2 tt0 -56.36 -58.4 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 64.439999999999998 111.849 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.9 pp -80.36 -7.84 59.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.273 . . . . 75.349999999999994 111.64 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -103.32 -2.24 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.037 0.446 . . . . 74.5 110.681 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HE2' ' HB1' ' A' ' 89' ' ' ALA . 7.2 ttpm? -103.11 135.17 45.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.811 -0.631 . . . . 51.439999999999998 110.09 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.13 128.59 53.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.731 -0.668 . . . . 63.240000000000002 110.201 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 17.4 t80 -87.86 120.19 28.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.922 -0.581 . . . . 74.530000000000001 109.508 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.58 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.1 mm -111.94 93.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.374 -0.376 . . . . 71.239999999999995 110.142 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 146.61 16.54 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.156 -1.021 . . . . 71.530000000000001 111.849 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.95 23.03 21.61 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.779 . . . . 25.41 112.534 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.0 pp -91.54 164.54 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.173 -0.306 . . . . 71.209999999999994 110.173 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 m -75.33 164.33 26.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.298 -0.41 . . . . 63.340000000000003 111.185 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -76.49 -5.61 48.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.607 0.718 . . . . 61.409999999999997 109.586 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.32 -17.6 32.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.703 -1.135 . . . . 70.239999999999995 109.436 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.681 ' HB ' HD13 ' A' ' 21' ' ' LEU . 94.6 m -74.46 115.02 13.52 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.121 -0.945 . . . . 70.120000000000005 110.771 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.3 t -118.35 171.56 8.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.318 -0.856 . . . . 74.349999999999994 109.389 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -48.09 43.27 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.605 0.362 . . . . 74.540000000000006 111.653 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.3 pt-20 -64.65 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 111.533 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 89.5 p -82.62 -29.13 30.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.218 -0.593 . . . . 65.010000000000005 109.765 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 18' ' ' ILE . 2.8 tm? -71.21 -52.13 20.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.942 -0.572 . . . . 52.210000000000001 109.815 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 3.8 ptm180 -67.38 -38.43 84.72 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.475 -0.49 . . . . 74.010000000000005 110.761 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -62.01 -32.43 72.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.698 0.285 . . . . 72.329999999999998 111.162 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' A' ' 29' ' ' SER . 51.8 m-70 -72.41 -44.54 62.32 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.894 -0.322 . . . . 61.140000000000001 110.522 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 50.4 m-85 -80.13 -13.08 59.55 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.49 0.552 . . . . 74.349999999999994 112.49 -175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 34.5 mt-10 -76.74 3.3 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.073 0.463 . . . . 63.229999999999997 111.124 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.4 mt-30 -80.08 -33.7 38.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.231 -0.44 . . . . 60.109999999999999 110.841 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.3 m-90 -105.83 10.49 32.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.334 -0.394 . . . . 75.299999999999997 110.553 -178.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.611 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 168.11 -174.83 42.99 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.093 -1.051 . . . . 65.109999999999999 113.497 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 39.7 m -108.89 120.8 43.59 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 122.536 0.334 . . . . 53.399999999999999 110.466 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.0 mt -89.56 103.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.016 0.436 . . . . 72.319999999999993 110.341 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.7 p -71.33 -28.72 64.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.639 -0.709 . . . . 63.009999999999998 109.969 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 33.5 t70 -139.08 107.64 5.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 75.340000000000003 110.247 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.538 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 31.3 p -113.65 149.6 34.4 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.815 -0.439 . . . . 51.329999999999998 109.815 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -173.19 140.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.214 0.53 . . . . 72.400000000000006 111.018 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -120.61 139.72 47.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.579 . . . . 75.219999999999999 109.779 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 1.2 mpt? . . . . . 0 C--N 1.315 -0.919 0 CA-C-N 116.092 -0.503 . . . . 63.32 110.275 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD2' ' HB3' ' A' ' 46' ' ' MET . 62.6 mtt180 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.604 0.24 . . . . 73.299999999999997 111.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.55 16.7 59.79 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.31 -0.948 . . . . 74.209999999999994 112.262 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -164.2 161.25 22.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.02 0.438 . . . . 71.519999999999996 110.951 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.39 -176.84 31.9 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.525 -0.762 . . . . 71.439999999999998 111.315 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -135.04 152.46 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.197 0.522 . . . . 54.43 111.242 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -146.59 113.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.367 -0.833 . . . . 60.210000000000001 110.846 -179.435 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 27.8 m -97.01 121.6 39.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.588 -0.733 . . . . 72.450000000000003 109.417 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.38 173.53 10.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.123 0.487 . . . . 72.200000000000003 111.288 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -38.52 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 74.200000000000003 109.469 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.5 t -141.29 156.19 45.9 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.643 -0.708 . . . . 71.120000000000005 109.869 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.91 -22.72 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 44.310000000000002 111.0 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.96 -38.51 76.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 70.420000000000002 110.497 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.636 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.6 mt-10 -74.13 -38.41 63.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.765 -0.652 . . . . 73.140000000000001 110.417 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.617 HG13 HD13 ' A' ' 16' ' ' LEU . 31.4 t -54.97 -45.84 76.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.792 -0.64 . . . . 74.150000000000006 110.545 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.65 -46.3 87.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 74.310000000000002 110.721 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.08 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 73.349999999999994 111.251 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.11 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 64.230000000000004 110.904 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.511 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 38.7 mtt -68.35 -41.26 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.531 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.42 -14.25 62.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.265 -0.425 . . . . 52.299999999999997 110.864 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.6 18.88 2.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.966 -0.561 . . . . 51.439999999999998 111.536 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -83.5 150.84 60.93 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.232 -0.284 . . . . 74.230000000000004 110.232 177.209 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 14.5 Cg_exo -68.81 120.9 4.56 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.568 -1.43 . . . . 61.32 111.494 -2.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.536 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 43.1 t-80 -72.68 142.3 48.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.217 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.82 115.37 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.896 0.379 . . . . 73.219999999999999 110.841 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' PHE . 86.3 t -127.43 122.77 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 52.530000000000001 109.849 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 25' ' ' THR . 3.2 m-20 63.39 22.56 13.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.781 0.432 . . . . 42.539999999999999 111.651 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.97 14.35 79.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 64.209999999999994 111.739 -176.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -115.98 129.94 56.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.909 -0.404 . . . . 74.340000000000003 109.909 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.11 106.33 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.896 0.379 . . . . 64.400000000000006 110.14 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.7 m -95.75 178.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.294 -0.412 . . . . 54.420000000000002 110.528 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.88 95.04 17.65 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 61.130000000000003 110.051 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 69.7 Cg_endo -81.56 120.59 3.58 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.836 2.357 . . . . 64.430000000000007 112.284 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -134.26 164.51 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 72.099999999999994 110.58 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 118.29 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 74.209999999999994 109.542 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.508 ' HB1' ' HE2' ' A' ' 15' ' ' LYS . . . -76.97 104.94 7.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 52.310000000000002 111.757 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.434 ' HA ' HE21 ' A' ' 12' ' ' GLN . 59.0 t . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 115.377 -0.829 . . . . 74.400000000000006 110.65 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.569 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.966 0.412 . . . . 75.319999999999993 110.174 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 90' ' ' VAL . 40.3 tt0 -51.74 -61.0 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.454 -0.793 . . . . 35.049999999999997 112.145 176.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.75 -6.78 59.35 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.703 -0.399 . . . . 73.099999999999994 111.143 -172.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -94.57 -10.98 30.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.231 0.538 . . . . 73.200000000000003 109.656 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -95.03 139.42 31.41 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.503 -0.771 . . . . 74.109999999999999 109.715 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -110.12 128.06 55.24 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.436 -0.802 . . . . 63.32 109.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -84.65 109.48 18.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 74.129999999999995 109.477 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG22 HD23 ' A' ' 21' ' ' LEU . 19.7 mm -106.43 103.21 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.055 -0.521 . . . . 74.340000000000003 110.466 -174.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.49 157.86 15.3 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.066 -1.064 . . . . 70.209999999999994 111.864 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.47 27.81 38.15 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.65 -0.785 . . . . 22.510000000000002 112.086 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.59 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.7 pp -96.14 -179.92 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 72.109999999999999 110.986 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -81.59 151.9 27.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.658 -0.701 . . . . 73.25 110.818 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.04 -6.99 49.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 74.430000000000007 110.148 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.597 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 14.8 mt-10 -92.15 -9.82 41.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.391 -0.822 . . . . 72.120000000000005 109.062 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 21' ' ' LEU . 28.5 m -74.46 114.03 12.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.185 -0.916 . . . . 71.239999999999995 109.993 175.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -119.92 -178.06 3.56 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 74.129999999999995 109.398 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.73 -51.26 29.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.139 0.422 . . . . 74.409999999999997 112.139 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.73 -36.62 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.392 -0.367 . . . . 63.340000000000003 111.216 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -70.07 -37.6 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.311 0.577 . . . . 73.140000000000001 109.57 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.34 -53.47 35.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 109.707 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.1 ptm180 -67.64 -42.0 82.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.276 -0.57 . . . . 74.25 110.953 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 m -64.18 -35.14 79.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.774 0.321 . . . . 75.049999999999997 111.486 -176.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB3' HG22 ' A' ' 79' ' ' VAL . 14.0 m80 -79.87 -12.98 59.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.522 -0.308 . . . . 72.430000000000007 111.721 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 79' ' ' VAL . 27.2 m-85 -108.58 -21.69 12.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.542 0.571 . . . . 74.450000000000003 112.542 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.686 ' HG2' HD13 ' A' ' 40' ' ' LEU . 48.5 mt-10 -75.15 15.01 0.47 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.117 0.484 . . . . 75.120000000000005 111.215 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.0 mt-30 -87.12 -32.87 19.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.918 -0.583 . . . . 70.409999999999997 110.692 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.2 m-90 -104.25 11.09 35.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.897 -0.592 . . . . 72.310000000000002 110.602 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.534 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.19 -166.97 39.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.416 -0.897 . . . . 62.240000000000002 112.689 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 121.9 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.371 0.269 . . . . 73.310000000000002 110.42 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.686 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.4 mp -90.47 114.64 26.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.47 -0.492 . . . . 72.310000000000002 109.883 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.89 -24.26 35.8 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.658 0.742 . . . . 75.140000000000001 109.374 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.578 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 6.8 m-20 -141.95 130.26 22.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.509 -1.223 . . . . 72.430000000000007 108.935 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.9 p -144.99 142.6 29.94 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.159 -0.682 . . . . 61.25 109.159 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 p -166.92 152.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.317 0.579 . . . . 63.340000000000003 111.737 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.34 140.3 45.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.046 -1.094 . . . . 74.430000000000007 108.046 169.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.058 -0.719 . . . . 70.140000000000001 109.058 177.148 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.837 ' HE ' ' HE2' ' A' ' 57' ' ' PHE . 5.7 mtp180 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.684 0.278 . . . . 73.540000000000006 110.953 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.09 19.39 72.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.310000000000002 113.384 174.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.837 ' HE2' ' HE ' ' A' ' 55' ' ' ARG . 15.8 p90 -166.14 161.36 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 74.129999999999995 110.266 176.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.36 -168.05 20.05 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.161 -0.542 . . . . 64.140000000000001 112.223 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.88 153.96 50.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.242 0.544 . . . . 71.329999999999998 110.773 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.686 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.0 p -147.15 124.72 3.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.35 -0.841 . . . . 75.519999999999996 110.044 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.578 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 6.8 m -115.98 117.86 31.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.405 -0.361 . . . . 75.420000000000002 110.268 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 70.1 m-85 -83.99 172.69 11.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.029 -0.532 . . . . 75.25 110.698 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.44 65.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.502 0.667 . . . . 73.030000000000001 109.815 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.2 t -148.57 155.36 41.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.939 -1.028 . . . . 64.120000000000005 109.493 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -64.78 -18.65 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.283 -0.417 . . . . 74.319999999999993 111.846 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -63.55 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.457 . . . . 72.540000000000006 110.485 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.8 mt-10 -77.96 -33.92 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.959 -0.564 . . . . 72.0 109.651 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 16' ' ' LEU . 16.2 t -59.28 -44.96 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.532 -0.758 . . . . 63.539999999999999 110.106 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.52 -45.76 84.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 64.310000000000002 110.5 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.43 89.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 71.129999999999995 111.173 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.91 85.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 44.409999999999997 110.884 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 42.0 mtt -64.3 -45.12 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.085 0.469 . . . . 70.239999999999995 110.511 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -69.75 -12.69 61.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 75.409999999999997 110.981 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.84 -6.07 59.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 63.310000000000002 111.172 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.621 ' HG2' ' HA ' ' A' ' 76' ' ' PRO . 7.0 tmm_? -56.53 138.74 75.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 62.149999999999999 110.506 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.621 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 10.6 Cg_exo -71.14 126.74 10.99 Favored 'Cis proline' 0 C--N 1.35 0.628 0 C-N-CA 123.839 -1.317 . . . . 63.039999999999999 112.904 1.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 38.0 t-80 -80.37 153.36 28.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.296 -0.865 . . . . 64.530000000000001 110.092 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -132.74 116.63 16.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.421 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 33' ' ' HIS . 93.4 t -129.9 120.07 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.445 . . . . 34.420000000000002 110.143 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.597 ' OD2' ' HB2' ' A' ' 24' ' ' GLU . 18.2 t70 60.67 35.82 19.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.406 0.622 . . . . 74.340000000000003 110.892 177.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.87 14.18 80.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.901 -0.666 . . . . 62.43 112.423 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -124.13 134.02 53.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.25 -0.278 . . . . 73.519999999999996 110.25 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.64 113.49 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.48 -0.563 . . . . 53.409999999999997 109.48 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 21' ' ' LEU . 29.0 m -99.89 159.43 3.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.638 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.56 101.67 54.25 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.068 -0.515 . . . . 72.219999999999999 109.828 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HB2' HD21 ' A' ' 16' ' ' LEU . 56.3 Cg_endo -92.52 113.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.388 2.726 . . . . 71.120000000000005 113.013 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -124.0 162.18 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.319999999999993 110.234 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.07 136.01 57.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.18 -0.304 . . . . 75.120000000000005 110.18 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.97 164.67 22.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.475 0.655 . . . . 52.229999999999997 112.023 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' HA ' HE21 ' A' ' 12' ' ' GLN . 40.0 t . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.054 -0.975 . . . . 75.219999999999999 109.192 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 110.054 -0.35 . . . . 74.010000000000005 110.054 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -55.92 -57.98 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.031 0.443 . . . . 64.040000000000006 111.18 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -82.27 -9.86 59.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 74.120000000000005 111.785 -170.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.489 HH11 ' HG3' ' A' ' 14' ' ' ARG . 37.9 mtt85 -104.16 -2.2 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.482 -0.327 . . . . 72.450000000000003 110.874 177.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.3 ttmm -95.54 139.72 31.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.259 0.552 . . . . 65.349999999999994 109.861 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.649 HD13 HG13 ' A' ' 68' ' ' VAL . 10.8 tp -106.11 125.87 51.51 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.512 -0.767 . . . . 62.140000000000001 109.968 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 41.5 t80 -87.28 120.59 28.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.926 -0.579 . . . . 73.109999999999999 109.623 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.476 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.7 mm -112.32 96.92 5.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.31 -0.405 . . . . 75.239999999999995 110.54 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.8 146.01 16.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.378 -0.915 . . . . 71.319999999999993 111.638 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.96 14.72 38.71 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.754 -0.736 . . . . 72.230000000000004 112.797 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -86.65 165.76 15.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.791 0.296 . . . . 74.109999999999999 110.688 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -79.08 172.81 13.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 61.130000000000003 111.132 -173.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -82.54 -2.38 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.557 0.694 . . . . 64.409999999999997 109.563 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -98.23 -7.11 29.87 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.099 -0.955 . . . . 73.420000000000002 109.104 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.663 ' HB ' HD13 ' A' ' 21' ' ' LEU . 50.1 m -77.21 93.8 4.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.385 -0.825 . . . . 65.019999999999996 110.324 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.8 t -95.52 168.81 10.46 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.907 -0.588 . . . . 74.340000000000003 109.591 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.528 ' HA ' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -41.48 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 74.340000000000003 111.329 -172.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.2 pt-20 -64.91 -39.15 93.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 72.230000000000004 110.852 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -70.47 -37.47 74.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 64.439999999999998 109.958 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 45' ' ' VAL . 29.6 tp -65.14 -54.01 36.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.462 -0.79 . . . . 71.430000000000007 110.432 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 4.6 ptp180 -60.59 -38.0 83.2 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.421 -0.354 . . . . 74.340000000000003 110.192 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.3 m -61.19 -39.42 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 72.219999999999999 111.186 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.4 m170 -84.5 -4.97 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.838 0.31 . . . . 75.519999999999996 111.838 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' CE2' HG21 ' A' ' 79' ' ' VAL . 41.9 m-85 -111.57 -17.65 13.0 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.609 -0.436 . . . . 74.120000000000005 111.882 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 57.7 mt-10 -75.78 4.05 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.48 . . . . 73.409999999999997 110.419 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 48.2 mt-30 -75.2 -43.82 49.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.972 -0.558 . . . . 73.340000000000003 110.976 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 26.2 m-90 -99.82 5.2 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 74.140000000000001 111.244 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.547 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 174.77 -179.13 46.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.082 -1.056 . . . . 72.209999999999994 113.275 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -101.24 124.24 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.365 0.266 . . . . 73.230000000000004 110.91 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD22 HG23 ' A' ' 60' ' ' VAL . 8.5 mt -90.75 111.38 22.73 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.304 -0.558 . . . . 71.129999999999995 110.14 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -76.51 -24.48 53.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.663 0.744 . . . . 65.230000000000004 109.146 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.69 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 17.0 t70 -144.43 146.41 32.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.606 -1.179 . . . . 70.230000000000004 109.131 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.0 t -169.84 141.71 2.3 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.213 -0.662 . . . . 54.0 109.213 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.6 p -169.53 148.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.883 -0.414 . . . . 42.009999999999998 109.883 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 27' ' ' ASP . 27.8 m -106.74 157.28 7.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.935 -0.395 . . . . 74.349999999999994 109.935 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.514 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 21.9 mmt . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 108.468 -0.938 . . . . 65.230000000000004 108.468 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 120.902 0.382 . . . . 71.430000000000007 110.759 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.76 7.4 88.61 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.558 -0.83 . . . . 71.129999999999995 112.398 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 19.3 p90 -159.33 160.23 34.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.239 0.542 . . . . 74.329999999999998 111.549 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.45 -175.13 29.03 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.321 -0.854 . . . . 70.310000000000002 111.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -135.72 153.61 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.597 0.713 . . . . 75.319999999999993 111.78 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.646 HG13 ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -150.05 116.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 75.209999999999994 108.934 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.69 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.3 m -104.95 115.35 30.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.697 -0.483 . . . . 62.109999999999999 109.697 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -75.67 -178.66 4.29 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.88 0.372 . . . . 72.409999999999997 110.677 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.62 -36.96 28.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.087 -0.708 . . . . 64.010000000000005 109.087 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.5 t -144.87 154.44 42.63 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.416 -0.811 . . . . 71.319999999999993 110.619 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.54 -29.36 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.826 0.676 . . . . 70.25 112.826 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.16 -20.08 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 70.129999999999995 111.345 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 64' ' ' THR . 25.0 mt-10 -83.23 -38.63 21.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.426 -0.583 . . . . 73.420000000000002 109.426 175.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG13 HD13 ' A' ' 16' ' ' LEU . 24.7 t -56.98 -52.32 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.329 -0.85 . . . . 63.329999999999998 110.282 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -63.57 -33.25 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.772 -0.649 . . . . 61.210000000000001 110.948 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.6 98.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 52.32 110.394 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.72 78.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 71.340000000000003 110.172 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.1 mtt -69.13 -33.73 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.576 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.2 -13.02 61.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.955 0.407 . . . . 63.100000000000001 110.694 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.41 16.45 18.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 74.349999999999994 111.293 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 8.3 ptm180 -79.3 150.5 74.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 75.109999999999999 110.296 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.6 Cg_exo -69.82 123.88 7.2 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.729 -1.363 . . . . 74.219999999999999 112.265 0.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.47 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -71.64 149.89 45.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 75.0 110.253 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 112.0 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.706 0.289 . . . . 64.510000000000005 110.724 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 34' ' ' PHE . 89.9 t -123.01 122.64 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.431 . . . . 72.319999999999993 109.96 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 30.9 t70 60.84 31.18 20.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.536 0.684 . . . . 35.119999999999997 110.314 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.37 23.34 77.52 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.601 -0.809 . . . . 75.420000000000002 111.752 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -122.53 128.33 50.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.969 -0.382 . . . . 63.240000000000002 109.969 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.66 106.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.871 -0.418 . . . . 73.209999999999994 109.871 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.8 m -100.24 169.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.819 0.342 . . . . 74.409999999999997 110.661 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -125.09 104.76 29.25 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 116.182 -0.463 . . . . 75.25 109.806 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HB2' HD21 ' A' ' 16' ' ' LEU . 42.0 Cg_endo -91.56 113.48 0.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.546 2.831 . . . . 52.109999999999999 112.84 -177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -123.7 161.26 25.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 74.140000000000001 110.916 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.46 126.9 28.92 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.915 -0.402 . . . . 71.109999999999999 109.915 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' A' ' 15' ' ' LYS . . . -71.81 154.7 41.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.219 0.533 . . . . 71.420000000000002 112.009 -176.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.534 -0.757 . . . . 63.329999999999998 109.385 177.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 110.053 -0.351 . . . . 74.129999999999995 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 9.5 tt0 -56.26 -47.76 77.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.67 . . . . 72.230000000000004 111.887 175.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -78.4 -18.17 55.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 71.420000000000002 111.847 -172.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' HG3' HD23 ' A' ' 13' ' ' LEU . 74.6 mtm180 -95.06 -15.23 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 72.409999999999997 110.731 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 2.8 ttmp? -81.2 129.89 34.78 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.26 0.553 . . . . 45.210000000000001 111.365 175.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HE2' ' A' ' 62' ' ' TYR . 7.8 mt -92.93 131.16 38.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.583 -0.735 . . . . 72.129999999999995 110.656 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -89.97 113.49 25.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.965 -0.754 . . . . 73.099999999999994 108.965 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.9 mm -108.77 97.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.253 -0.43 . . . . 73.540000000000006 110.251 -176.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.38 146.02 16.42 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.296 -0.954 . . . . 71.340000000000003 112.045 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.11 32.85 11.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.792 -0.718 . . . . 75.409999999999997 112.445 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 pp -97.67 175.38 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.061 0.457 . . . . 63.329999999999998 111.293 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.6 t -74.11 155.28 38.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.63 -0.714 . . . . 65.239999999999995 110.828 -175.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.2 -2.78 39.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.109 0.48 . . . . 70.010000000000005 110.004 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.14 -9.9 27.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.348 -0.612 . . . . 71.329999999999998 109.348 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 45.6 m -70.94 92.56 0.93 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.506 -0.77 . . . . 65.109999999999999 110.6 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -93.15 172.34 8.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 72.349999999999994 110.212 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 17.4 t70 -51.23 -56.18 14.22 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.016 0.526 . . . . 74.439999999999998 111.772 -174.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.09 -37.22 79.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 75.239999999999995 111.06 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 22.8 t -70.81 -36.7 73.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.184 0.516 . . . . 72.349999999999994 109.693 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 HG12 ' A' ' 45' ' ' VAL . 45.3 tp -66.63 -52.36 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 65.25 110.143 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 16.0 ptt180 -63.83 -37.42 87.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.506 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -61.5 -36.91 81.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 74.349999999999994 111.193 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 29' ' ' SER . 73.3 m-70 -81.26 -12.52 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 70.430000000000007 111.322 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 39.1 m-85 -106.25 -14.86 15.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.219 0.451 . . . . 75.310000000000002 112.219 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.1 mt-10 -67.93 -1.26 5.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.063 0.459 . . . . 75.439999999999998 111.167 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -83.58 -20.8 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.117 -0.492 . . . . 75.230000000000004 112.042 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -116.86 12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.902 0.382 . . . . 72.099999999999994 110.207 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 160.5 -168.64 36.06 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.996 -1.097 . . . . 70.420000000000002 113.77 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -107.18 127.49 53.56 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.898 0.479 . . . . 54.0 110.759 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.614 ' HG ' ' CG2' ' A' ' 60' ' ' VAL . 1.1 mm? -91.84 113.32 25.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.862 -0.735 . . . . 72.340000000000003 111.538 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -85.51 -21.15 28.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.14 -0.936 . . . . 73.439999999999998 110.65 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 37.1 t70 -149.18 90.94 1.79 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 74.239999999999995 111.183 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.9 p -110.4 145.81 36.93 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.696 -0.483 . . . . 64.319999999999993 109.696 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 7.6 p -169.08 137.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 74.150000000000006 110.952 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 30' ' ' LEU . 34.6 m -110.56 148.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.134 0.493 . . . . 63.5 110.697 175.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.387 -0.824 . . . . 74.329999999999998 109.886 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 . . . . . 0 C--O 1.231 0.089 0 N-CA-C 111.629 0.233 . . . . 73.150000000000006 111.629 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.09 58.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.362 -0.923 . . . . 72.209999999999994 112.222 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -162.95 166.68 23.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 74.219999999999999 110.174 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.58 -178.97 39.54 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.823 -0.911 . . . . 73.120000000000005 110.823 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 97.1 m-85 -126.63 148.54 49.79 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.3 0.571 . . . . 65.450000000000003 110.708 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.614 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 13.0 p -144.26 100.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 122.114 0.959 . . . . 75.140000000000001 110.112 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 9.4 m -94.56 125.26 39.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 61.439999999999998 110.167 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.495 ' HE2' HD12 ' A' ' 16' ' ' LEU . 51.1 m-85 -86.42 177.57 7.39 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.874 0.369 . . . . 75.319999999999993 110.823 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.58 -35.86 60.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.491 0.663 . . . . 54.32 109.688 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 7.8 t -143.61 155.79 44.38 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.149 -0.932 . . . . 42.409999999999997 109.815 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.13 -29.52 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 75.530000000000001 111.809 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.59 -35.57 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 74.030000000000001 111.511 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.3 mt-10 -76.66 -37.5 56.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.086 0.469 . . . . 62.229999999999997 110.095 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 72' ' ' MET . 37.7 t -58.93 -52.2 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.711 -0.677 . . . . 71.120000000000005 110.593 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.53 74.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.584 . . . . 72.340000000000003 110.63 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.41 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 75.420000000000002 110.541 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.13 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.439999999999998 110.28 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.0 mtt -66.82 -43.92 82.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 70.310000000000002 110.618 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -65.25 -24.19 67.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 62.210000000000001 110.793 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 7.11 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.79 -0.641 . . . . 52.219999999999999 112.059 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ptt-85 -66.98 149.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 65.340000000000003 110.309 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.57 129.74 17.95 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.528 -1.447 . . . . 75.319999999999993 113.017 2.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 20.1 t-80 -74.97 161.09 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.703 -0.68 . . . . 73.540000000000006 110.294 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -146.62 112.18 5.59 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.61 -0.515 . . . . 74.25 109.61 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -129.03 131.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.875 -0.417 . . . . 73.310000000000002 109.875 177.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 79' ' ' VAL . 19.0 t70 71.79 -57.17 0.62 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.173 0.921 . . . . 70.230000000000004 110.01 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.53 33.64 0.02 OUTLIER Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 108.808 -1.717 . . . . 62.009999999999998 108.808 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 12.8 tpp180 -132.25 128.46 37.9 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.434 -0.883 . . . . 73.150000000000006 110.285 -170.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.0 t -76.36 109.37 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.316 -0.624 . . . . 65.400000000000006 109.316 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 21' ' ' LEU . 28.5 m -104.81 174.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.861 -0.609 . . . . 71.030000000000001 111.191 -175.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.36 101.97 30.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.873 -0.603 . . . . 65.120000000000005 109.659 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.07 115.11 0.43 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.33 2.687 . . . . 43.140000000000001 112.674 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -128.54 160.11 33.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 64.230000000000004 110.307 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.44 126.7 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.077 -0.342 . . . . 63.100000000000001 110.077 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 12' ' ' GLN . . . -65.33 144.07 57.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.912 0.386 . . . . 75.25 111.21 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.415 ' HA ' HE21 ' A' ' 12' ' ' GLN . 9.1 p . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.29 -0.633 . . . . 72.319999999999993 109.29 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.724 0.297 . . . . 71.120000000000005 110.818 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.16 -37.04 86.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.056 -0.52 . . . . 64.129999999999995 110.72 -175.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -80.24 -18.69 48.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.055 0.455 . . . . 63.240000000000002 110.87 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.574 HH11 ' HG3' ' A' ' 14' ' ' ARG . 23.8 mtt85 -93.24 -5.67 49.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.152 0.501 . . . . 74.120000000000005 109.918 173.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 25.2 ttmm -93.27 136.46 33.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.346 -0.843 . . . . 75.150000000000006 109.874 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.673 HD13 HG13 ' A' ' 68' ' ' VAL . 9.2 tp -103.25 126.42 50.41 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.511 -0.768 . . . . 75.310000000000002 109.993 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -87.0 109.88 19.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.956 -0.757 . . . . 52.020000000000003 108.956 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.493 HG21 HD21 ' A' ' 30' ' ' LEU . 10.8 mm -102.35 95.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.326 -0.397 . . . . 45.329999999999998 110.105 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.67 147.78 18.02 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.026 -1.083 . . . . 52.140000000000001 111.684 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.0 19.66 23.42 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.819 -0.705 . . . . 70.129999999999995 112.722 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.2 pp -94.1 167.48 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.903 0.352 . . . . 72.420000000000002 110.843 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -78.63 174.82 10.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 72.430000000000007 111.553 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -82.64 -10.89 58.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.902 -0.59 . . . . 74.510000000000005 110.879 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -96.68 -9.91 28.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.143 0.497 . . . . 74.310000000000002 109.923 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' HD13 ' A' ' 21' ' ' LEU . 77.9 m -68.77 94.54 0.61 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.381 -0.827 . . . . 53.130000000000003 110.861 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -93.29 167.42 11.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.6 -0.727 . . . . 62.229999999999997 109.833 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -38.9 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.663 0.268 . . . . 62.409999999999997 110.998 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.08 -35.87 82.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.162 -0.472 . . . . 62.130000000000003 111.048 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -74.6 -42.69 58.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.534 0.683 . . . . 64.140000000000001 109.408 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 18' ' ' ILE . 2.7 tm? -64.95 -50.39 66.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.758 -1.11 . . . . 73.510000000000005 109.858 -173.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 13.8 ptt180 -66.31 -36.13 82.15 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.966 -0.561 . . . . 74.019999999999996 110.165 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.06 -40.33 90.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.639 0.257 . . . . 71.109999999999999 110.589 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.527 ' CD2' HG23 ' A' ' 79' ' ' VAL . 86.1 m-70 -70.46 -28.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 75.430000000000007 110.724 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -91.48 -15.58 28.59 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.227 -0.296 . . . . 53.5 111.663 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 32.0 mt-10 -72.17 1.38 7.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.213 0.53 . . . . 74.319999999999993 110.671 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.79 -26.5 24.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.697 -0.683 . . . . 73.340000000000003 111.957 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -112.03 10.96 20.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.188 0.518 . . . . 65.299999999999997 110.191 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.13 179.67 39.17 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.546 -0.835 . . . . 35.439999999999998 112.986 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -102.12 123.31 45.76 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.243 0.217 . . . . 64.129999999999995 111.022 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.4 mm? -86.29 116.28 24.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.133 -0.627 . . . . 40.240000000000002 109.948 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 p -82.64 -20.34 36.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.231 -0.895 . . . . 75.319999999999993 109.315 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 32.1 t70 -142.39 134.46 27.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.905 -1.043 . . . . 72.239999999999995 109.348 174.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.9 p -148.54 131.53 16.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.625 0.25 . . . . 73.409999999999997 110.559 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.76 150.26 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.363 -0.381 . . . . 73.140000000000001 111.109 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.35 151.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 74.109999999999999 110.017 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 121.733 0.778 . . . . 63.340000000000003 111.634 -175.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 14.9 mtm180 . . . . . 0 CA--C 1.526 0.048 0 N-CA-C 111.971 0.36 . . . . 72.0 111.971 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.08 24.35 64.18 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.662 -0.78 . . . . 64.109999999999999 113.895 172.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 26.8 p90 -164.76 164.43 21.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.997 0.398 . . . . 72.310000000000002 110.674 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.12 -170.26 27.74 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.95 -0.568 . . . . 52.229999999999997 112.011 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -136.44 155.13 50.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 72.040000000000006 111.326 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -151.0 114.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 73.239999999999995 110.589 176.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 46.3 m -93.44 121.17 34.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.446 -0.576 . . . . 43.409999999999997 109.446 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.56 178.16 8.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.674 0.273 . . . . 64.420000000000002 110.458 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -32.99 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.457 0.646 . . . . 51.219999999999999 109.803 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 t -149.24 156.43 42.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.478 -0.783 . . . . 73.219999999999999 110.214 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 m -55.06 -29.91 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 75.099999999999994 112.393 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.45 -35.84 68.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.172 0.51 . . . . 72.5 110.956 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.614 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.4 mt-10 -76.87 -40.17 48.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.543 -0.753 . . . . 73.329999999999998 110.561 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.673 HG13 HD13 ' A' ' 16' ' ' LEU . 50.1 t -56.56 -51.07 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.874 -0.603 . . . . 75.209999999999994 110.584 177.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.63 -34.82 76.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 73.329999999999998 110.9 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 73.219999999999999 110.464 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.88 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.9 -0.591 . . . . 60.32 110.574 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 30.2 mtt -68.92 -40.31 79.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 71.040000000000006 110.6 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -66.86 -20.28 65.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.932 0.396 . . . . 63.100000000000001 110.822 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.12 14.11 8.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.438 0.533 . . . . 72.519999999999996 112.438 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 5.3 ptp85 -77.14 153.59 82.38 Favored Pre-proline 0 C--N 1.328 -0.358 0 C-N-CA 121.099 -0.24 . . . . 72.310000000000002 110.805 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 35.7 Cg_endo -65.71 126.74 6.81 Favored 'Cis proline' 0 C--O 1.236 0.39 0 C-N-CA 123.423 -1.49 . . . . 75.400000000000006 112.456 -0.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 28.0 t-80 -74.8 149.77 39.55 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 72.340000000000003 109.571 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -133.9 114.86 13.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.44 -0.345 . . . . 64.409999999999997 110.344 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG23 ' CD2' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -137.23 119.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.821 -0.627 . . . . 71.530000000000001 110.119 177.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.22 36.02 25.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.64 -0.709 . . . . 54.219999999999999 111.363 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 2.99 88.52 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.704 -0.68 . . . . 74.120000000000005 112.928 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.672 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 22.5 tpp180 -108.8 137.65 46.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.778 0.323 . . . . 72.099999999999994 110.938 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 60.9 t -89.64 125.45 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.263 -0.643 . . . . 71.120000000000005 109.263 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.28 171.64 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 74.510000000000005 111.528 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.71 102.74 46.95 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.365 -0.834 . . . . 74.409999999999997 108.981 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.1 Cg_endo -83.06 115.1 2.3 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.483 2.122 . . . . 75.150000000000006 111.602 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' HD12 ' A' ' 16' ' ' LEU . 14.8 mtpp -119.43 150.35 40.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.392 -0.822 . . . . 72.230000000000004 110.519 -172.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 122.5 17.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.108 -0.701 . . . . 73.540000000000006 109.108 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.89 142.96 38.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.639 0.733 . . . . 73.209999999999994 111.841 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.397 -0.964 . . . . 71.420000000000002 108.397 169.083 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.598 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 26.9 tt0 . . . . . 0 C--O 1.22 -0.477 0 N-CA-C 109.937 -0.394 . . . . 65.299999999999997 109.937 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -65.86 -53.73 35.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 73.439999999999998 111.037 176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 pp -90.89 -13.41 33.68 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.678 -0.409 . . . . 64.010000000000005 111.83 -171.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 mtt-85 -92.26 -9.38 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.885 -0.326 . . . . 75.439999999999998 110.405 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 22.5 ttmm -88.04 136.4 32.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.609 . . . . 50.140000000000001 110.679 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD13 HG13 ' A' ' 68' ' ' VAL . 8.1 tp -101.52 123.62 45.86 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.128 -0.942 . . . . 71.129999999999995 109.561 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -86.38 112.94 21.93 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.06 -0.719 . . . . 72.409999999999997 109.06 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.26 101.24 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.007 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.14 142.98 17.39 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.942 -1.123 . . . . 64.430000000000007 112.397 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.1 34.46 8.18 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.032 -0.604 . . . . 74.120000000000005 112.574 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.618 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.0 pp -98.53 174.5 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 63.350000000000001 111.185 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -75.73 167.9 21.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 75.209999999999994 111.492 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -85.7 -1.33 57.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.6 0.714 . . . . 74.540000000000006 109.642 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.41 -9.5 32.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.82 -1.082 . . . . 63.140000000000001 109.441 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.618 ' HB ' HD13 ' A' ' 21' ' ' LEU . 55.5 m -76.82 104.14 7.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.195 -0.911 . . . . 73.219999999999999 111.386 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -107.33 169.61 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.618 -0.719 . . . . 70.209999999999994 110.235 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.6 t70 -52.02 -48.48 64.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.055 0.542 . . . . 72.329999999999998 111.809 -174.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.16 -37.71 88.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.079 -0.509 . . . . 73.420000000000002 111.48 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 48.7 m -78.27 -32.31 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.045 -0.354 . . . . 72.340000000000003 110.045 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 45' ' ' VAL . 20.8 tp -66.1 -48.31 71.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.611 -0.514 . . . . 63.439999999999998 109.611 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.7 ptm180 -65.25 -39.56 92.83 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.786 -0.643 . . . . 73.030000000000001 110.293 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -62.17 -38.83 90.57 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.884 -0.326 . . . . 64.030000000000001 110.928 -176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CD2' HG23 ' A' ' 79' ' ' VAL . 80.8 m-70 -74.6 -39.13 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 74.219999999999999 111.137 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.3 m-85 -85.54 -19.86 30.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.611 0.597 . . . . 71.230000000000004 112.611 -175.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mt-10 -78.47 10.26 3.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.277 0.56 . . . . 74.409999999999997 110.61 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.13 -25.89 31.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.587 -0.733 . . . . 74.150000000000006 111.245 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -113.13 12.21 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 75.099999999999994 110.505 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.94 -170.14 40.55 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.218 -0.991 . . . . 60.439999999999998 113.152 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 52.4 m -108.39 123.1 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.428 0.291 . . . . 51.0 110.776 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.735 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.2 mt -92.59 108.06 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.539 . . . . 71.340000000000003 110.367 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.8 p -80.32 -16.22 55.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 54.43 110.369 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.2 t70 -151.47 105.3 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.355 -0.839 . . . . 61.049999999999997 110.571 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.51 143.81 47.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.613 -0.435 . . . . 55.43 110.108 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -163.56 146.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 63.420000000000002 110.36 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG12 HD22 ' A' ' 30' ' ' LEU . 34.0 m -124.37 156.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.023 0.44 . . . . 72.540000000000006 110.576 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.609 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 17.1 mmt . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 108.974 -0.751 . . . . 63.219999999999999 108.974 178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 71.2 mtp180 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.485 . . . . 72.420000000000002 110.366 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.64 10.51 65.16 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.734 -0.746 . . . . 45.140000000000001 112.756 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HE1' ' HG3' ' A' ' 46' ' ' MET . 18.4 p90 -158.95 160.05 35.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.365 0.602 . . . . 71.030000000000001 111.74 176.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.43 -178.45 31.5 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.196 -0.911 . . . . 72.450000000000003 111.267 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.494 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.8 m-85 -135.89 148.51 48.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.221 0.534 . . . . 74.409999999999997 111.248 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.735 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -148.31 109.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.203 -0.908 . . . . 73.239999999999995 110.685 -177.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -95.87 115.28 27.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.713 -0.676 . . . . 71.310000000000002 109.616 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 39' ' ' THR . 57.5 m-85 -77.86 176.19 9.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.818 0.342 . . . . 71.299999999999997 111.03 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.24 -37.03 58.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.435 0.636 . . . . 72.140000000000001 109.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.6 t -143.54 160.21 41.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.196 -0.911 . . . . 74.310000000000002 109.619 175.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.73 -17.83 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 75.400000000000006 111.22 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 73.450000000000003 110.153 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.6 mt-10 -77.1 -38.12 52.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.667 -0.697 . . . . 70.129999999999995 109.693 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.697 HG13 HD13 ' A' ' 16' ' ' LEU . 20.0 t -54.83 -49.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.379 -0.828 . . . . 60.439999999999998 110.4 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.32 -40.83 87.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 71.019999999999996 110.933 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.22 96.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 73.319999999999993 110.7 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.85 82.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 63.210000000000001 110.58 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 36.7 mtt -66.18 -37.86 86.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.767 -0.651 . . . . 72.519999999999996 110.746 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.21 -4.1 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.979 -0.555 . . . . 72.150000000000006 110.531 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 12.04 33.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 70.209999999999994 110.647 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 15.0 ptt180 -76.02 152.09 84.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 65.319999999999993 110.359 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 17.4 Cg_exo -66.16 127.0 7.36 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.584 -1.423 . . . . 64.140000000000001 111.843 -1.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.479 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 26.4 t-80 -73.83 153.35 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.014 -0.539 . . . . 75.109999999999999 109.931 -177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -136.91 112.86 9.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.274 -0.421 . . . . 72.420000000000002 110.272 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -136.66 124.05 32.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 73.340000000000003 109.887 176.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 62.89 30.74 16.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.502 -0.772 . . . . 71.019999999999996 110.988 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.59 23.8 77.38 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.639 -0.709 . . . . 54.219999999999999 112.417 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -126.26 132.58 51.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.314 -0.254 . . . . 72.010000000000005 110.314 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 62.4 t -81.78 126.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.879 -0.415 . . . . 75.510000000000005 109.879 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 21' ' ' LEU . 32.6 m -120.89 173.82 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.166 -0.47 . . . . 23.440000000000001 111.391 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -115.1 113.49 43.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 74.510000000000005 109.468 171.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 16' ' ' LEU . 25.3 Cg_endo -91.72 103.59 0.23 Allowed 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 122.661 2.241 . . . . 71.420000000000002 111.028 173.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -117.12 154.83 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 72.099999999999994 110.546 -171.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 130.44 44.94 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.279 -0.637 . . . . 61.5 109.279 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 138.46 43.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.554 0.692 . . . . 74.329999999999998 112.35 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 74.510000000000005 108.612 174.465 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 pt-20 . . . . . 0 C--O 1.214 -0.793 0 N-CA-C 109.356 -0.609 . . . . 53.43 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.53 -59.43 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.714 -0.676 . . . . 74.019999999999996 110.962 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -3.93 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 73.230000000000004 110.761 -174.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -102.69 -6.93 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 65.430000000000007 110.65 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 20.5 ttmm -98.02 138.69 34.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 74.230000000000004 109.535 177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 5.2 mt -101.22 129.32 47.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.161 -0.927 . . . . 72.510000000000005 110.309 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -85.44 114.38 22.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 71.549999999999997 109.102 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mm -109.28 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.309 -0.405 . . . . 73.430000000000007 110.324 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 57' ' ' PHE . . . -116.5 144.55 18.47 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 119.894 -1.146 . . . . 53.509999999999998 112.079 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.0 17.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.862 -0.685 . . . . 41.200000000000003 113.039 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -90.7 169.14 11.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.168 0.484 . . . . 74.239999999999995 110.77 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -74.52 172.06 12.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.225 0.536 . . . . 62.420000000000002 111.099 -173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -85.79 -2.15 57.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 73.439999999999998 109.759 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -99.77 -13.75 19.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 74.129999999999995 109.89 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.8 m -65.48 123.43 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 61.420000000000002 110.27 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.1 t -132.64 173.82 10.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.695 -0.483 . . . . 60.240000000000002 109.695 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -47.2 -47.63 24.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.837 0.455 . . . . 75.230000000000004 112.093 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 26' ' ' THR . 8.7 pt-20 -60.81 -45.17 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 54.219999999999999 111.767 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -79.71 -25.34 41.19 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.578 -0.449 . . . . 64.319999999999993 110.593 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.18 -56.19 14.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.364 -0.606 . . . . 53.130000000000003 109.364 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.4 ptm180 -71.17 -34.05 70.56 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.213 -0.595 . . . . 60.439999999999998 110.645 -176.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -65.76 -30.12 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.978 -0.289 . . . . 75.519999999999996 111.475 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.521 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 55.9 m-70 -93.44 -9.17 39.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.822 -0.351 . . . . 61.399999999999999 111.215 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' HB2' HD21 ' A' ' 40' ' ' LEU . 29.6 m-85 -107.34 -23.17 12.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.054 0.391 . . . . 75.409999999999997 112.054 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.755 ' HG2' HD13 ' A' ' 40' ' ' LEU . 29.9 mt-10 -75.21 15.56 0.42 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.001 0.429 . . . . 75.519999999999996 111.335 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.8 mt-30 -91.81 -21.96 20.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.121 -0.491 . . . . 72.329999999999998 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -115.77 13.55 16.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 65.420000000000002 110.167 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.35 -172.15 41.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.305 -0.95 . . . . 60.219999999999999 112.988 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 87.5 m -104.12 122.91 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.372 0.269 . . . . 61.5 110.408 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.9 mp -93.78 111.3 22.97 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.071 -0.652 . . . . 74.420000000000002 109.548 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -77.75 -25.45 49.2 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.826 -0.805 . . . . 73.109999999999999 108.826 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.647 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 27.7 t70 -141.0 141.68 34.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.531 -1.213 . . . . 74.329999999999998 109.901 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.3 p -153.02 142.24 21.49 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.156 -0.683 . . . . 73.120000000000005 109.156 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -163.58 140.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.037 0.446 . . . . 64.140000000000001 111.476 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -108.96 137.73 39.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.751 -0.833 . . . . 75.409999999999997 108.751 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 120.937 0.398 . . . . 73.219999999999999 111.099 -176.703 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 . . . . . 0 N--CA 1.457 -0.078 0 N-CA-C 111.919 0.34 . . . . 73.209999999999994 111.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.64 19.65 78.97 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.789 -0.72 . . . . 51.240000000000002 113.257 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HA ' ' HG ' ' A' ' 21' ' ' LEU . 10.4 p90 -163.53 164.74 24.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.932 0.366 . . . . 73.209999999999994 110.679 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.0 -166.14 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 116.056 -0.52 . . . . 61.109999999999999 111.805 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.436 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 69.0 m-85 -139.65 157.36 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.204 0.526 . . . . 72.319999999999993 111.095 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -147.04 123.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.45 -0.795 . . . . 61.119999999999997 110.65 -178.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.647 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.0 m -111.39 119.19 38.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.97 -0.382 . . . . 70.439999999999998 109.97 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 39' ' ' THR . 58.2 m-85 -86.3 172.81 10.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 74.5 110.859 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.15 67.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 64.319999999999993 109.906 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.511 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -147.91 161.0 42.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.449 -0.796 . . . . 75.310000000000002 110.113 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -63.27 -25.82 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 73.219999999999999 112.603 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.75 -19.15 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.852 -0.339 . . . . 73.310000000000002 111.465 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.3 mt-10 -79.47 -34.6 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 64.109999999999999 109.171 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 72' ' ' MET . 25.0 t -58.45 -45.4 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.331 -0.849 . . . . 63.100000000000001 109.457 171.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.6 -42.03 82.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.738 -0.664 . . . . 72.239999999999995 110.842 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.71 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 43.020000000000003 110.776 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.3 -32.02 68.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.001 0.429 . . . . 64.530000000000001 110.345 176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.692 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.8 mtt -72.28 -23.3 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 71.140000000000001 110.529 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -80.29 -19.03 47.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.402 0.62 . . . . 73.409999999999997 109.7 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.84 -8.94 55.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.305 -0.861 . . . . 75.120000000000005 111.692 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.696 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 35.2 ptt180 -78.39 149.34 75.37 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 110.123 -0.325 . . . . 64.129999999999995 110.123 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.696 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 32.3 Cg_exo -59.68 124.6 2.03 Favored 'Cis proline' 0 C--N 1.347 0.46 0 C-N-CA 123.609 -1.413 . . . . 75.049999999999997 112.761 2.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 18.9 t-80 -78.67 167.03 21.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.43 -0.804 . . . . 73.310000000000002 110.435 -172.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.8 tppt? -147.07 108.6 4.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 70.540000000000006 110.551 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -133.82 130.04 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.601 . . . . 72.349999999999994 109.771 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 63.66 18.74 11.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.759 0.79 . . . . 75.439999999999998 110.388 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 80.09 13.43 82.04 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.933 -0.651 . . . . 72.439999999999998 111.879 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -112.68 134.69 54.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.692 0.282 . . . . 64.400000000000006 110.299 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.1 t -81.58 120.65 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 51.539999999999999 109.951 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.2 m -118.27 166.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 72.5 111.304 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -110.33 107.76 58.51 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.896 -0.593 . . . . 72.310000000000002 110.135 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.88 103.72 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.289 2.659 . . . . 52.119999999999997 111.725 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -124.2 150.62 45.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 63.399999999999999 110.473 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -55.55 130.51 43.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.268 0.227 . . . . 55.030000000000001 110.891 -176.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.87 158.0 36.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.5 0.667 . . . . 70.010000000000005 111.862 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.022 -0.99 . . . . 74.219999999999999 109.047 179.031 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 121.258 0.551 . . . . 75.430000000000007 109.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.52 -61.96 1.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.737 -1.12 . . . . 73.120000000000005 112.361 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 -1.29 57.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.426 -0.51 . . . . 73.010000000000005 111.559 -170.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -99.09 -14.52 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 75.349999999999994 110.399 173.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -89.28 140.52 29.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.424 0.631 . . . . 61.530000000000001 109.715 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.575 HD13 HG13 ' A' ' 68' ' ' VAL . 8.9 tp -109.94 130.32 55.54 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.354 -0.839 . . . . 72.209999999999994 109.474 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HB3' ' HG2' ' A' ' 87' ' ' LYS . 27.3 t80 -84.89 113.82 21.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.188 -0.671 . . . . 72.340000000000003 109.188 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.51 98.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.48 -0.327 . . . . 72.450000000000003 110.428 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.01 146.57 18.85 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.299 -0.953 . . . . 41.039999999999999 111.785 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.0 38.96 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.579 -0.82 . . . . 74.430000000000007 112.191 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.1 pp -111.33 169.53 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 74.400000000000006 110.413 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 p -82.07 169.77 16.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.266 -0.425 . . . . 62.130000000000003 110.981 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -81.48 0.1 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.847 0.832 . . . . 72.239999999999995 109.016 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.75 -10.21 25.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.17 -1.377 . . . . 73.099999999999994 109.061 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -76.21 97.18 4.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.992 -1.003 . . . . 73.010000000000005 110.019 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -94.31 166.3 12.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.165 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.636 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 16.1 t70 -49.68 -50.29 44.22 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.068 0.547 . . . . 73.329999999999998 111.897 -174.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.92 -37.82 88.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.051 -0.522 . . . . 75.310000000000002 111.446 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 m -70.92 -34.67 71.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.908 -0.404 . . . . 51.119999999999997 109.908 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD22 HG22 ' A' ' 45' ' ' VAL . 33.0 tp -61.01 -53.83 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 75.140000000000001 110.059 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 11.4 ptt85 -63.85 -37.92 89.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.008 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -64.88 -26.67 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.299999999999997 111.569 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.533 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.4 m-70 -90.8 -10.08 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.328 . . . . 61.130000000000003 111.536 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' HB2' HD21 ' A' ' 40' ' ' LEU . 42.6 m-85 -112.81 -19.78 11.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.691 0.626 . . . . 74.409999999999997 112.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.575 ' HG2' HD13 ' A' ' 40' ' ' LEU . 52.2 mt-10 -73.59 2.59 7.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.103 0.478 . . . . 75.349999999999994 110.743 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.9 mt-30 -74.51 -39.3 62.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.769 -0.65 . . . . 74.400000000000006 111.348 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.533 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.8 m-90 -103.2 4.44 36.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 74.239999999999995 111.065 -176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.72 175.36 41.36 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.911 -1.138 . . . . 51.32 113.403 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 94.8 m -89.57 125.71 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.418 0.287 . . . . 73.230000000000004 111.055 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.688 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.0 mp -93.9 109.96 21.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.003 0.43 . . . . 73.25 110.327 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -78.35 -21.73 49.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.643 0.735 . . . . 63.439999999999998 109.209 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 36.1 t70 -144.71 140.65 28.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.917 -1.038 . . . . 74.129999999999995 109.525 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.75 132.56 13.22 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.978 -0.749 . . . . 50.030000000000001 108.978 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.636 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 p -161.16 129.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 74.340000000000003 112.175 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG23 ' HA ' ' A' ' 27' ' ' ASP . 88.7 t -96.64 141.36 15.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.912 -0.773 . . . . 73.230000000000004 108.912 171.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 23.7 mmt . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 74.349999999999994 108.817 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 47.0 mtp180 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 121.03 0.443 . . . . 63.119999999999997 110.608 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 5.46 75.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.612 -0.804 . . . . 44.450000000000003 112.447 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -162.95 164.01 25.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.049 0.452 . . . . 74.310000000000002 110.977 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.75 -173.94 28.88 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.764 -0.653 . . . . 72.329999999999998 111.579 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 80.9 m-85 -135.07 155.88 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.286 0.565 . . . . 75.530000000000001 111.282 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.5 p -147.75 129.71 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.23 -0.896 . . . . 65.310000000000002 110.037 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 28.2 m -118.36 121.62 40.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.558 -0.534 . . . . 72.310000000000002 109.558 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 69.6 m-85 -86.14 178.43 7.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.06 -0.518 . . . . 73.010000000000005 111.212 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.81 60.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 65.239999999999995 110.61 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 t -162.54 163.69 27.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.611 -0.722 . . . . 75.349999999999994 109.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.4 m -57.91 -27.05 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.348 0.499 . . . . 64.010000000000005 112.348 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.1 -42.31 99.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 74.230000000000004 111.017 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.4 mm-40 -63.09 -39.68 95.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.513 -0.767 . . . . 74.219999999999999 109.886 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG13 HD13 ' A' ' 16' ' ' LEU . 25.1 t -61.91 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.261 -0.881 . . . . 53.210000000000001 111.067 178.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.51 -49.2 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 64.439999999999998 110.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.19 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 75.239999999999995 111.573 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.45 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 53.350000000000001 110.897 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.3 mtt -70.53 -37.94 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.114 0.483 . . . . 64.319999999999993 110.326 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.3 -6.2 38.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.665 -0.698 . . . . 60.200000000000003 110.475 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.66 8.22 40.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.64 -0.709 . . . . 75.430000000000007 110.929 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 -66.61 140.47 96.47 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 64.239999999999995 110.022 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.7 127.33 14.1 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.972 -1.262 . . . . 72.25 112.259 0.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.706 -0.679 . . . . 75.150000000000006 110.249 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -139.65 110.22 6.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.597 -0.274 . . . . 72.129999999999995 110.545 -176.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 34' ' ' PHE . 98.4 t -121.84 121.38 64.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.567 -0.531 . . . . 70.319999999999993 109.567 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 64.26 23.6 13.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.794 0.807 . . . . 63.119999999999997 110.35 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.53 19.76 79.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.408 -0.901 . . . . 74.209999999999994 111.578 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -116.56 133.25 56.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 72.299999999999997 109.296 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.8 t -76.17 106.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 63.409999999999997 110.231 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.32 161.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 75.319999999999993 110.052 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 39.2 tt0 -117.63 113.05 38.54 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-O 120.864 0.364 . . . . 75.310000000000002 110.318 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HB2' HD21 ' A' ' 16' ' ' LEU . 20.0 Cg_endo -93.1 110.37 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 123.422 2.748 . . . . 74.219999999999999 112.279 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 17.0 ptpt -122.1 158.22 29.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.396 . . . . 72.310000000000002 110.219 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -61.21 122.88 16.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.177 -0.305 . . . . 62.409999999999997 110.177 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.49 45.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 70.310000000000002 111.579 -175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.483 -0.78 . . . . 73.019999999999996 109.602 172.644 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.893 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . . . . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.519 -0.178 . . . . 74.209999999999994 110.519 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m 71.58 110.74 0.06 Allowed 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.837 0.711 . . . . 62.240000000000002 111.564 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 41' ' ' THR . 17.2 tppt? -126.89 130.26 49.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.997 -0.547 . . . . 63.299999999999997 110.353 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.3 m -76.69 93.75 3.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.341 0.591 . . . . 61.0 109.664 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.7 tt0 -155.13 149.41 26.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.432 -0.804 . . . . 64.109999999999999 109.845 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 m -104.12 89.17 2.32 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 108.827 -0.805 . . . . 62.350000000000001 108.827 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 69.4 Cg_endo -76.18 124.78 8.1 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.336 2.024 . . . . 73.200000000000003 112.367 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.13 -32.76 50.54 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.189 -1.041 . . . . 70.219999999999999 108.189 174.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.862 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -83.59 138.45 41.14 Favored Pre-proline 0 N--CA 1.446 -0.642 0 CA-C-N 114.42 -1.264 . . . . 65.129999999999995 108.572 175.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 39.4 Cg_exo -60.52 134.3 53.89 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.444 2.096 . . . . 63.520000000000003 112.424 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -55.83 -46.32 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 73.120000000000005 109.906 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 5.1 tt0 -58.62 -36.84 74.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.484 -0.78 . . . . 73.409999999999997 111.572 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -79.75 -27.18 40.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.931 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.862 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 52.5 mtm180 -90.09 -11.84 40.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 70.430000000000007 110.867 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 24.3 ttmm -89.38 137.96 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.38 0.609 . . . . 54.109999999999999 110.707 -178.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD13 HG13 ' A' ' 68' ' ' VAL . 8.4 tp -111.46 131.7 55.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.318 -0.855 . . . . 71.019999999999996 109.335 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.637 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 20.9 t80 -88.55 114.56 25.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.593 -0.521 . . . . 75.010000000000005 109.593 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.9 mm -106.7 97.41 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.213 -0.448 . . . . 74.219999999999999 110.175 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA3' ' N1 ' ' B' ' 2' ' ' ' U' . . . -109.74 144.68 16.8 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.075 -1.059 . . . . 51.310000000000002 112.331 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.53 48.33 5.33 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.861 -0.685 . . . . 42.409999999999997 112.16 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.685 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -108.32 179.34 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 73.120000000000005 111.426 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.446 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 29.2 t -72.88 155.0 40.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 72.200000000000003 110.924 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -78.21 -4.42 47.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.157 0.503 . . . . 70.099999999999994 110.032 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -98.19 -8.23 27.84 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.581 -0.736 . . . . 64.230000000000004 109.503 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.685 ' HB ' HD13 ' A' ' 21' ' ' LEU . 47.4 m -75.65 101.11 4.85 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.547 -0.751 . . . . 64.129999999999995 111.139 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.9 t -110.36 -176.63 3.03 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.782 -0.821 . . . . 74.319999999999993 108.782 174.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.21 -53.1 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.61 0.364 . . . . 43.140000000000001 111.815 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.3 pt-20 -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 73.439999999999998 111.634 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -77.27 -30.26 54.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 70.049999999999997 109.933 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.23 -57.03 4.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.548 -0.751 . . . . 61.409999999999997 109.899 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 ptm180 -64.82 -36.0 82.9 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.723 -0.391 . . . . 72.439999999999998 110.751 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.2 t -62.29 -31.88 72.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.74 0.305 . . . . 74.310000000000002 111.115 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.7 m-70 -92.75 -6.38 49.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.527 -0.306 . . . . 75.120000000000005 111.496 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' HB2' HD21 ' A' ' 40' ' ' LEU . 27.5 m-85 -110.2 -22.21 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.806 -0.357 . . . . 71.230000000000004 111.9 177.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' HD13 ' A' ' 40' ' ' LEU . 59.3 mt-10 -73.46 17.72 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.075 0.464 . . . . 75.349999999999994 111.12 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 34' ' ' PHE . 14.0 mt-30 -97.8 -20.7 17.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 72.109999999999999 111.256 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.0 m-90 -115.76 14.62 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.283 0.563 . . . . 65.319999999999993 109.874 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.42 -169.95 38.65 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.459 -0.877 . . . . 72.010000000000005 112.895 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 42.1 m -106.79 124.49 49.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.423 0.289 . . . . 62.109999999999999 110.278 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 60' ' ' VAL . 1.8 mp -92.43 112.63 24.64 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.16 -0.616 . . . . 74.420000000000002 110.061 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 50.2 p -80.46 -28.6 37.61 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.44 -0.8 . . . . 41.439999999999998 109.857 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.56 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.4 t70 -143.11 99.03 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.632 -0.713 . . . . 73.310000000000002 110.278 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.6 p -113.2 133.1 55.23 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 109.027 -0.731 . . . . 74.409999999999997 109.027 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.893 ' HB ' ' HB2' ' A' ' 1' ' ' ALA . 5.1 p -158.9 121.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.4 0.619 . . . . 62.25 111.492 -177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.13 142.11 16.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.231 -0.655 . . . . 70.530000000000001 109.231 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.567 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 24.5 mmt -82.85 133.14 35.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.979 -0.378 . . . . 73.409999999999997 109.979 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -111.58 158.52 19.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.966 -0.383 . . . . 73.5 109.966 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.32 137.09 96.63 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.816 -0.629 . . . . 73.420000000000002 109.768 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.99 -14.31 43.19 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.435 2.09 . . . . 73.340000000000003 112.588 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -109.42 -55.14 2.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 73.439999999999998 110.3 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.6 p -78.9 -29.44 44.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 64.340000000000003 110.771 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 63.39 28.14 15.45 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 111.056 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -100.63 -76.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.901 -0.32 . . . . 73.5 111.315 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -152.83 164.1 38.49 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.809 -0.356 . . . . 62.539999999999999 111.41 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 42.3 mtp180 -123.82 4.33 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.954 -0.566 . . . . 70.239999999999995 111.161 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.649 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 79.98 15.21 79.48 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.798 -0.715 . . . . 63.32 113.378 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' HB3' H5'' ' B' ' 2' ' ' ' U' . 19.5 p90 -164.94 159.51 18.22 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.771 0.32 . . . . 75.329999999999998 110.487 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 -173.4 28.2 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.178 -0.534 . . . . 42.030000000000001 112.155 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' HE1' ' C2 ' ' B' ' 3' ' ' ' A' . 93.4 m-85 -131.29 154.74 48.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.981 0.42 . . . . 75.109999999999999 111.068 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.657 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.4 p -148.79 116.49 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.46 -0.791 . . . . 72.400000000000006 110.626 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.56 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 38.1 m -107.22 125.25 50.88 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.949 -0.389 . . . . 72.510000000000005 109.949 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 60.0 m-85 -88.47 175.75 7.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.466 -0.334 . . . . 73.010000000000005 110.998 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -22.19 58.99 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.519 . . . . 42.229999999999997 110.553 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -159.59 162.97 35.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.4 -0.818 . . . . 61.149999999999999 110.026 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.566 HG23 HH21 ' A' ' 88' ' ' ARG . 3.5 p -60.61 -32.26 51.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 73.150000000000006 112.338 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.83 -15.75 62.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.686 0.279 . . . . 71.439999999999998 111.718 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 29.0 mt-10 -82.91 -37.29 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.531 -0.544 . . . . 63.009999999999998 109.531 175.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 16' ' ' LEU . 7.7 t -58.0 -43.82 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.636 -0.711 . . . . 63.509999999999998 109.495 171.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.44 -41.88 81.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.038 -0.983 . . . . 73.140000000000001 110.131 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.79 88.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 60.240000000000002 110.914 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.07 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.934 0.397 . . . . 73.219999999999999 110.378 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.8 mtt -68.16 -37.59 81.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 70.430000000000007 110.72 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.29 -17.02 63.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.018 0.437 . . . . 74.329999999999998 110.619 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.16 7.54 31.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.983 -0.553 . . . . 74.230000000000004 111.514 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 87.7 mtm180 -70.97 145.29 91.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.52 -0.309 . . . . 75.120000000000005 110.443 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.418 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.2 Cg_exo -70.99 126.08 10.05 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.693 -1.378 . . . . 73.239999999999995 111.901 -0.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.424 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 26.4 t-80 -69.98 158.99 34.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 60.219999999999999 110.615 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -141.82 112.55 7.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.776 -0.647 . . . . 62.219999999999999 110.036 -176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.1 p -133.47 127.79 54.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 73.120000000000005 110.204 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.9 t70 70.77 -5.22 1.5 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.688 -0.687 . . . . 75.510000000000005 111.092 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.44 8.64 30.5 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.311 -0.716 . . . . 62.039999999999999 111.311 -174.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 7.9 tpp180 -112.3 132.61 54.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.469 -0.366 . . . . 75.120000000000005 110.458 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.01 119.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.095 -0.705 . . . . 71.129999999999995 109.095 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.463 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -116.1 176.0 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 65.140000000000001 111.179 -175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -123.69 105.86 32.51 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 74.129999999999995 109.623 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HB2' HD21 ' A' ' 16' ' ' LEU . 28.0 Cg_endo -91.12 106.46 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.179 2.586 . . . . 70.140000000000001 112.531 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -111.68 160.22 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 73.239999999999995 110.49 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.566 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -63.57 131.01 46.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.15 -0.315 . . . . 75.019999999999996 110.15 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -65.95 122.67 17.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 64.019999999999996 111.109 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 91' ' ' SER . 9.2 p -83.09 170.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.168 -0.678 . . . . 62.039999999999999 109.168 176.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.579 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 1.5 m -70.53 140.3 51.78 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.443 -0.577 . . . . 73.409999999999997 109.443 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.647 ' HA ' ' N2 ' ' B' ' 4' ' ' ' G' . 1.8 ptm180 -72.61 -23.35 60.93 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.465 -0.494 . . . . 70.439999999999998 110.157 175.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.84 -19.49 60.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 63.109999999999999 110.215 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 91' ' ' SER . 9.6 t70 -70.95 -47.15 60.59 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.379 0.609 . . . . 72.019999999999996 109.635 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 p -79.51 -32.5 42.36 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.096 -0.956 . . . . 75.219999999999999 110.046 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 58.75 51.56 7.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.269 -0.878 . . . . 75.519999999999996 110.904 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.534 -0.757 . . . . 73.129999999999995 109.19 174.68 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.77 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 104.778 2.078 . 0.0 '__' . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.77 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C4'-C3'-C2' 103.859 1.159 . 0.0 OUTLIER . 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.864 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-C2' 107.735 0.954 . 0.438 4b . 64.129999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.864 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 C1'-O4'-C4' 106.11 -3.878 OUTLIER-DELTA 0.0 OUTLIER gamma 72.019999999999996 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 1.055 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 P-O3'-C3' 121.151 1.209 . 0.0 OUTLIER gamma 72.319999999999993 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.055 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C4'-C3'-C2' 104.735 2.035 OUTLIER-EPSILON 0.0 OUTLIER . 74.150000000000006 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.779 " O5'" " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 P-O3'-C3' 121.773 1.728 . 0.0 OUTLIER epsilon-1 74.040000000000006 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.53 ' HA ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.849 0.357 . . . . 64.239999999999995 110.705 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -103.36 -41.46 6.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 74.25 110.075 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.16 -70.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.882 -0.784 . . . . 73.5 108.882 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 m -165.35 -41.86 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.76 -1.109 . . . . 73.349999999999994 108.482 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.53 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 57.66 31.4 20.33 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.12 -0.945 . . . . 64.219999999999999 110.484 178.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.7 p -90.97 163.75 28.28 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.02 -0.991 . . . . 75.049999999999997 110.553 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HA ' HH22 ' A' ' 14' ' ' ARG . 4.5 Cg_exo -79.62 26.09 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.059 2.506 . . . . 51.340000000000003 111.859 174.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -72.11 -53.82 11.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.016 -0.538 . . . . 74.019999999999996 110.221 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.65 150.32 58.01 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.536 -0.756 . . . . 71.510000000000005 110.541 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.62 116.1 2.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.304 2.67 . . . . 72.299999999999997 112.987 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' HG3' HG21 ' A' ' 61' ' ' THR . 37.0 tt0 -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 75.430000000000007 110.477 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' OE1' ' HB2' ' A' ' 91' ' ' SER . 18.7 tt0 -56.43 -50.18 72.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.246 0.546 . . . . 75.129999999999995 110.975 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tt -70.67 -24.69 62.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.54 -0.755 . . . . 61.109999999999999 111.414 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.513 HH22 ' HA ' ' A' ' 7' ' ' PRO . 73.5 mtm180 -98.57 -7.81 27.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.616 0.246 . . . . 74.340000000000003 111.56 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.1 ttmm -89.59 136.33 33.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.382 0.61 . . . . 35.409999999999997 110.582 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.52 129.8 53.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.266 -0.879 . . . . 63.420000000000002 109.725 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 20.6 t80 -86.86 113.27 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.819 -0.628 . . . . 72.140000000000001 109.452 177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.6 mm -109.1 97.66 6.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.109 -0.496 . . . . 60.009999999999998 110.584 -175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.93 148.81 18.74 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.051 -1.071 . . . . 55.219999999999999 112.42 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.89 11.55 49.6 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.027 -0.606 . . . . 50.299999999999997 112.698 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.562 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -81.41 163.68 22.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.563 0.221 . . . . 71.549999999999997 110.57 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -82.61 173.55 11.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.252 0.549 . . . . 63.130000000000003 111.435 -170.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 89.7 m-85 -81.93 2.36 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.582 0.706 . . . . 63.32 109.644 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.31 -14.86 24.98 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.003 -0.999 . . . . 71.540000000000006 108.9 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' HD13 ' A' ' 21' ' ' LEU . 27.4 m -72.56 130.03 39.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.162 -0.926 . . . . 74.120000000000005 110.425 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -133.14 163.04 30.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 109.908 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.74 -46.75 41.49 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 41.350000000000001 111.667 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.08 -44.26 92.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.218 -0.446 . . . . 75.030000000000001 112.158 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 p -78.17 -28.88 48.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.23 0.538 . . . . 75.109999999999999 110.287 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 45' ' ' VAL . 3.0 tm? -65.4 -45.62 83.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.275 -0.875 . . . . 75.239999999999995 108.984 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 6.5 ptp85 -71.96 -38.84 69.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 120.403 -0.519 . . . . 74.129999999999995 110.156 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.6 m -59.79 -38.29 81.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.7 0.286 . . . . 60.240000000000002 111.254 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' CE1' ' H ' ' A' ' 80' ' ' ASP . 9.0 m80 -74.7 -35.95 62.72 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.832 -0.347 . . . . 72.25 111.523 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.511 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.7 m-85 -85.59 -17.66 35.57 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.145 -0.622 . . . . 73.209999999999994 112.35 -178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 23.6 mt-10 -79.01 14.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.09 0.472 . . . . 75.420000000000002 110.942 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.5 mt-30 -86.88 -32.05 20.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.062 -0.517 . . . . 71.109999999999999 110.722 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 25.5 m-90 -108.69 15.27 23.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.37 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 161.68 -169.23 37.08 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.233 -0.984 . . . . 65.120000000000005 113.385 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -112.82 124.87 53.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 62.109999999999999 111.185 -178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.6 mt -91.36 111.14 22.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.131 0.491 . . . . 74.340000000000003 110.466 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.7 p -81.98 -24.65 35.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 74.120000000000005 110.042 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -143.32 96.41 2.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.053 -0.976 . . . . 73.230000000000004 109.754 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.5 p -122.11 139.5 53.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.379 -0.373 . . . . 74.409999999999997 110.391 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.625 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 12.9 p -163.8 147.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.878 0.371 . . . . 73.140000000000001 111.359 -177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 ' HG ' ' A' ' 30' ' ' LEU . 60.3 t -119.77 139.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.065 -0.516 . . . . 71.329999999999998 110.04 174.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HG2' H5'' ' B' ' 4' ' ' ' G' . 1.5 mpt? -90.05 141.8 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.133 -0.485 . . . . 73.430000000000007 110.284 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 53' ' ' ARG . 11.8 mmt180 -106.56 140.98 38.58 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.97 -0.752 . . . . 72.109999999999999 108.97 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.743 ' HA ' ' HG2' ' A' ' 55' ' ' ARG . 7.4 t70 -60.75 140.4 93.12 Favored Pre-proline 0 C--N 1.315 -0.897 0 CA-C-N 115.434 -0.803 . . . . 73.409999999999997 111.321 -173.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.0 -21.21 56.9 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.492 2.128 . . . . 72.319999999999993 111.927 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.86 -55.25 2.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 62.119999999999997 110.122 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 17.1 p -78.65 -33.98 46.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 111.469 -175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 62.82 28.49 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.998 -0.546 . . . . 72.450000000000003 110.445 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.558 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 9.7 mpt_? -117.28 -56.33 2.25 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 116.32 -0.4 . . . . 65.239999999999995 110.017 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 41.4 t -156.87 143.88 18.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.985 -0.552 . . . . 55.219999999999999 109.728 175.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.743 ' HG2' ' HA ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -86.32 -6.04 59.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.102 -0.499 . . . . 74.299999999999997 110.395 177.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.551 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 86.15 17.85 60.27 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.647 -0.787 . . . . 60.32 112.187 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.692 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 22.8 p90 -165.52 161.69 18.73 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.078 0.466 . . . . 62.299999999999997 111.017 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 178.61 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.816 -0.914 . . . . 64.420000000000002 110.816 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.7 m-85 -133.97 150.65 51.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 73.099999999999994 111.27 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.755 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -147.34 111.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.33 -0.85 . . . . 74.299999999999997 111.194 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 4.3 m -97.75 114.65 26.7 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.631 -0.713 . . . . 63.399999999999999 109.604 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -78.03 172.82 12.94 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.765 0.317 . . . . 64.319999999999993 111.151 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.99 57.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 72.420000000000002 109.965 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.3 t -154.69 156.38 36.32 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.496 -0.775 . . . . 64.200000000000003 110.678 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.25 -29.06 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 42.420000000000002 111.207 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -54.84 -35.56 64.09 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.226 0.536 . . . . 74.400000000000006 111.046 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.4 mt-10 -81.76 -33.89 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 74.150000000000006 110.439 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.562 HG13 HD13 ' A' ' 16' ' ' LEU . 40.5 t -59.95 -45.94 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.808 -0.633 . . . . 54.329999999999998 110.44 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -57.16 -46.0 83.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.015 -0.539 . . . . 73.310000000000002 110.506 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.57 90.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 61.140000000000001 111.199 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.34 90.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 52.340000000000003 111.253 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 45.6 mtt -66.77 -42.22 86.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.953 0.406 . . . . 73.510000000000005 110.616 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -69.69 -15.24 63.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 61.219999999999999 110.952 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 5.36 36.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 44.130000000000003 111.493 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 14.6 ptm180 -78.4 155.67 78.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 110.063 -0.347 . . . . 71.219999999999999 110.063 177.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 22.9 Cg_exo -63.93 123.79 3.55 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.7 -1.375 . . . . 70.549999999999997 112.37 1.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.511 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -78.11 154.56 31.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 64.310000000000002 110.625 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -133.26 114.22 13.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.197 -0.456 . . . . 61.210000000000001 110.057 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG21 ' CE2' ' A' ' 34' ' ' PHE . 79.7 t -121.79 127.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.285 . . . . 61.340000000000003 110.638 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.443 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 33.0 t70 67.18 -58.87 0.4 Allowed 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.32 1.012 . . . . 63.009999999999998 110.7 -175.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.84 34.98 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.268 -1.533 . . . . 44.450000000000003 109.268 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -143.55 133.39 23.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.483 -0.859 . . . . 75.420000000000002 109.53 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.4 t -73.43 114.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.873 -0.417 . . . . 72.150000000000006 109.873 176.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.4 m -104.16 163.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.392 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -118.58 102.41 49.93 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 109.793 -0.447 . . . . 64.120000000000005 109.793 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -90.61 111.41 0.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 123.124 2.55 . . . . 74.510000000000005 112.667 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -125.56 165.04 19.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.709 . . . . 74.420000000000002 109.686 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.16 130.29 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.659 0.266 . . . . 73.409999999999997 110.47 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -80.39 131.81 35.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.127 0.489 . . . . 64.019999999999996 111.573 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -75.55 144.06 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.747 -0.66 . . . . 73.450000000000003 109.43 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.44 ' HB2' ' OE1' ' A' ' 12' ' ' GLN . 45.7 t -52.07 135.14 31.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.69 0.281 . . . . 61.140000000000001 110.823 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -71.37 -12.81 61.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.578 0.704 . . . . 72.420000000000002 109.387 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -81.7 -27.61 33.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.876 -1.056 . . . . 64.329999999999998 109.761 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -90.38 -7.31 53.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 75.209999999999994 110.852 177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 t -62.5 114.32 3.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.738 -0.664 . . . . 73.530000000000001 110.826 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -110.87 -0.19 16.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.478 -0.783 . . . . 62.350000000000001 109.579 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.412 -0.804 . . . . 62.109999999999999 110.48 -176.533 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.835 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 C4'-C3'-C2' 105.461 2.761 OUTLIER-DELTA 0.0 '__' . 73.319999999999993 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.835 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 104.627 1.927 . 0.0 OUTLIER . 71.109999999999999 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.738 ' OP2' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.729 0.949 . 0.0 OUTLIER gamma 75.040000000000006 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 1.04 " H4'" H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 C1'-O4'-C4' 106.949 -2.946 OUTLIER-DELTA 0.0 OUTLIER delta 75.219999999999999 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 1.04 H5'' " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.121 0 C4'-C3'-C2' 104.816 2.116 OUTLIER-DELTA 0.0 OUTLIER delta-1 73.5 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.697 " H4'" ' OP1' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-C2' 107.496 0.783 . 0.0 OUTLIER . 73.519999999999996 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.697 ' OP1' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C3'-C2'-C1' 102.841 1.49 . 0.0 OUTLIER alpha 73.239999999999995 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.35 -0.241 . . . . 75.340000000000003 110.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -79.07 -36.07 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.114 0.483 . . . . 64.129999999999995 109.799 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.84 152.18 19.57 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.298 -0.63 . . . . 74.439999999999998 109.298 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.6 m -113.84 14.73 18.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.453 -0.34 . . . . 74.450000000000003 110.784 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 4.9 mp0 51.73 80.87 0.08 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.655 -0.702 . . . . 54.219999999999999 111.151 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 21.0 m -130.72 62.65 66.34 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.368 -0.378 . . . . 64.120000000000005 111.203 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 6' ' ' SER . 96.4 Cg_endo -100.92 -155.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 123.317 2.678 . . . . 63.130000000000003 111.838 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.644 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -98.19 -32.88 11.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.109 0.48 . . . . 70.0 109.922 174.088 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 4.2 pt-20 -146.09 101.57 4.16 Favored Pre-proline 0 N--CA 1.447 -0.614 0 CA-C-N 115.726 -0.67 . . . . 71.299999999999997 110.249 177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.54 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 4.3 Cg_exo -75.1 103.27 1.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.34 2.027 . . . . 51.130000000000003 110.657 176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.3 tt0 -63.91 -38.49 91.28 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 110.256 -0.276 . . . . 64.030000000000001 110.256 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.5 -54.61 38.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.381 0.61 . . . . 75.549999999999997 111.248 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 6.6 tt -70.82 -23.57 62.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.42 -0.809 . . . . 72.329999999999998 111.777 -173.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 9' ' ' GLU . 46.2 mtm180 -99.17 -7.43 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.391 -0.368 . . . . 74.329999999999998 111.314 -178.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 22.0 ttmm -89.17 136.73 32.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.249 0.547 . . . . 61.350000000000001 110.498 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD13 HG13 ' A' ' 68' ' ' VAL . 8.2 tp -105.45 127.61 53.09 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.327 -0.852 . . . . 63.329999999999998 109.714 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.679 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 24.4 t80 -86.0 113.58 22.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.222 -0.658 . . . . 73.349999999999994 109.222 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mm -108.68 102.21 13.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.362 -0.381 . . . . 74.030000000000001 110.121 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' N1 ' ' B' ' 2' ' ' ' U' . . . -115.73 150.34 18.67 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 119.815 -1.184 . . . . 61.350000000000001 111.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.37 26.07 21.92 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.951 -0.642 . . . . 42.130000000000003 112.648 177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -96.46 167.7 11.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 44.43 110.961 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m -72.46 166.68 22.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.049 -0.523 . . . . 64.219999999999999 111.063 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.602 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 91.5 m-85 -81.85 -7.07 59.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.163 -0.472 . . . . 74.019999999999996 110.553 -177.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -93.93 -9.52 36.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.875 -0.602 . . . . 54.119999999999997 110.047 175.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.734 ' HB ' HD13 ' A' ' 21' ' ' LEU . 86.3 m -73.61 104.85 4.69 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.67 -0.695 . . . . 71.109999999999999 110.689 176.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.504 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.5 t -116.25 -177.3 3.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.827 -0.624 . . . . 62.43 109.388 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.39 -55.18 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.27 0.47 . . . . 63.140000000000001 112.27 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.57 -35.78 82.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.412 -0.358 . . . . 65.319999999999993 111.701 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 -13.93 41.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.576 -0.45 . . . . 54.420000000000002 111.214 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD22 HG12 ' A' ' 45' ' ' VAL . 24.8 tp -81.28 -51.03 8.82 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.487 -0.56 . . . . 74.200000000000003 109.487 173.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.512 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 8.3 ptt180 -63.75 -37.47 87.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.701 -0.681 . . . . 75.439999999999998 110.652 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -60.6 -34.14 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 74.120000000000005 111.167 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 44.8 m80 -89.66 -4.41 57.78 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.992 0.368 . . . . 72.319999999999993 111.992 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' HB2' HD11 ' A' ' 40' ' ' LEU . 42.0 m-85 -116.64 -16.06 10.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.274 0.472 . . . . 64.129999999999995 112.274 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 47.7 mt-10 -75.76 8.12 3.29 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.178 0.513 . . . . 74.129999999999995 110.647 175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 36' ' ' GLN . 11.7 mt-30 -84.07 -28.75 27.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.976 -0.556 . . . . 72.5 111.177 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.591 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -107.37 11.37 29.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 71.439999999999998 110.531 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.511 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 164.51 -159.18 32.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.26 -0.972 . . . . 71.439999999999998 113.252 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.5 m -115.24 121.74 43.86 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.529 0.331 . . . . 74.549999999999997 110.864 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.6 mt -91.66 100.51 13.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.191 0.52 . . . . 62.210000000000001 110.1 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.3 p -75.69 -21.4 57.63 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.984 -1.007 . . . . 75.400000000000006 110.204 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 30.4 t70 -143.31 103.65 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.368 -0.833 . . . . 64.5 110.091 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -112.17 145.7 39.38 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.626 -0.509 . . . . 41.310000000000002 109.626 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG21 ' N3 ' ' B' ' 5' ' ' ' G' . 10.9 p -168.02 141.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 53.409999999999997 110.985 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' HA ' ' A' ' 26' ' ' THR . 34.9 m -122.41 151.28 26.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.41 -0.589 . . . . 65.120000000000005 109.41 174.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.596 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 22.2 mmt -88.79 135.91 33.28 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.097 -1.075 . . . . 72.099999999999994 108.097 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 7.1 mpt_? -110.01 153.27 24.82 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.487 -0.485 . . . . 72.430000000000007 111.134 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 8.7 t70 -64.84 140.59 98.12 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.521 -0.763 . . . . 65.109999999999999 109.744 176.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -26.42 81.82 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.362 2.041 . . . . 63.420000000000002 111.709 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -97.79 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 74.310000000000002 110.34 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 18.1 p -68.87 -32.74 72.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.683 -0.69 . . . . 73.439999999999998 110.78 -173.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 65.52 22.77 11.82 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 115.411 -0.813 . . . . 61.439999999999998 110.796 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -98.31 -76.01 0.54 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.676 0.275 . . . . 74.099999999999994 110.597 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.602 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 27.2 t -147.5 153.2 39.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.284 0.564 . . . . 61.399999999999999 110.774 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 35.9 mtp180 -100.49 9.21 42.89 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 71.239999999999995 110.446 175.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.53 10.6 70.19 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.468 -0.873 . . . . 42.340000000000003 112.823 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.0 158.98 20.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.773 0.321 . . . . 61.119999999999997 110.561 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.72 -173.09 25.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.213 -0.517 . . . . 45.009999999999998 112.338 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.2 m-85 -135.99 149.46 48.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.101 0.477 . . . . 70.340000000000003 111.041 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.746 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.15 112.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.564 -0.744 . . . . 72.439999999999998 110.787 -178.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.648 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -97.29 116.95 30.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 71.450000000000003 110.104 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' THR . 61.7 m-85 -79.18 174.28 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.334 -0.394 . . . . 73.150000000000006 110.944 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.63 61.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.298 0.57 . . . . 75.109999999999999 109.67 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.3 t -141.69 156.82 45.61 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.812 . . . . 73.129999999999995 110.073 179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' HD21 ' A' ' 13' ' ' LEU . 3.2 p -57.39 -28.72 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 53.030000000000001 111.65 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.12 -32.34 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 64.319999999999993 111.508 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.2 mt-10 -75.96 -38.2 57.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.124 0.488 . . . . 72.5 109.946 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.613 HG13 HD13 ' A' ' 16' ' ' LEU . 42.2 t -56.34 -46.31 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.43 -0.804 . . . . 65.140000000000001 110.411 174.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -54.79 -47.75 73.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 75.549999999999997 111.037 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.6 97.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 63.299999999999997 111.2 -178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.64 78.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.242 -0.436 . . . . 63.32 110.754 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.728 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 mtt -69.54 -33.39 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.519999999999996 110.908 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -71.6 -17.66 62.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 73.430000000000007 110.762 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.19 22.39 3.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.856 -0.611 . . . . 61.310000000000002 112.273 -173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.728 ' HD2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -94.41 154.44 40.27 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 110.162 -0.31 . . . . 62.140000000000001 110.162 177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 23.4 Cg_exo -64.65 125.18 4.84 Favored 'Cis proline' 0 C--O 1.236 0.403 0 C-N-CA 123.662 -1.391 . . . . 51.439999999999998 112.187 -0.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 22.8 t-80 -71.49 161.66 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.387 -0.824 . . . . 70.510000000000005 110.476 -174.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -142.36 110.46 5.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.098 0.475 . . . . 74.409999999999997 110.853 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.51 129.02 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 73.439999999999998 109.847 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.7 t70 63.74 22.84 13.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.6 0.714 . . . . 74.530000000000001 110.246 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.66 8.63 87.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.838 -0.696 . . . . 73.219999999999999 112.172 -176.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -110.88 138.09 47.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.557 0.218 . . . . 72.450000000000003 110.719 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -85.46 123.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.211 -0.45 . . . . 71.409999999999997 110.24 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.528 HG11 ' HB3' ' A' ' 21' ' ' LEU . 26.2 m -118.08 168.85 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.052 -0.522 . . . . 75.450000000000003 111.147 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -113.23 105.35 55.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.581 . . . . 64.129999999999995 109.927 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.0 Cg_endo -89.7 106.94 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.914 2.409 . . . . 75.519999999999996 111.894 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -122.83 162.01 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 72.120000000000005 110.339 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -61.65 141.71 57.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.425 -0.352 . . . . 63.219999999999999 110.539 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.789 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -79.41 149.72 31.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.439 0.638 . . . . 65.239999999999995 111.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.09 156.39 7.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.076 -0.965 . . . . 43.439999999999998 108.438 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.473 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 74.8 m -61.79 132.83 54.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.377 -0.529 . . . . 73.319999999999993 110.483 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.478 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -67.69 -21.3 65.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.107 -0.701 . . . . 75.209999999999994 109.107 175.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -62.44 -42.74 99.68 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.019 -0.991 . . . . 70.510000000000005 110.18 172.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 21.4 m-20 -74.49 -43.59 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 52.399999999999999 110.364 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m -120.07 85.04 2.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.915 -0.584 . . . . 73.040000000000006 110.546 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -90.13 -29.58 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.386 -0.598 . . . . 74.209999999999994 109.386 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.402 -0.809 . . . . 73.420000000000002 109.241 173.222 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.778 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 C3'-C2'-C1' 103.107 1.786 . 0.0 '__' . 72.049999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.679 " H1'" ' CE1' ' A' ' 17' ' ' PHE . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.913 1.081 . 0.0 OUTLIER gamma 73.329999999999998 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.789 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.922 1 C3'-C2'-C1' 97.81 -4.1 . 0.0 OUTLIER alpha 73.540000000000006 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.627 " H1'" ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C1'-O4'-C4' 106.936 -2.96 . 0.0 OUTLIER alpha 73.310000000000002 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.74 " H5'" " C5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 100.459 -1.156 . 0.0 OUTLIER alpha 71.310000000000002 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.845 " H4'" H5'' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C4'-C3'-C2' 103.736 1.036 . 0.0 OUTLIER gamma 74.129999999999995 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.845 H5'' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.612 0.866 . 0.0 OUTLIER . 64.239999999999995 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.272 -0.27 . . . . 72.200000000000003 110.272 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.59 72.14 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.419 0.628 . . . . 72.040000000000006 111.396 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -146.47 9.24 1.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.667 -0.864 . . . . 71.5 108.667 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 p -79.9 152.3 29.68 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 72.549999999999997 111.299 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -78.37 73.29 4.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.494 -0.558 . . . . 75.040000000000006 109.494 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 m -69.56 119.5 71.21 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 62.130000000000003 110.233 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.64 136.59 71.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.011 2.474 . . . . 54.32 111.905 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 3.2 mptp? -83.07 54.76 2.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.065 0.46 . . . . 73.439999999999998 111.506 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -95.65 126.82 43.89 Favored Pre-proline 0 N--CA 1.446 -0.646 0 N-CA-C 107.872 -1.158 . . . . 73.150000000000006 107.872 171.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' O ' HD23 ' A' ' 13' ' ' LEU . 46.7 Cg_exo -49.79 127.98 20.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.803 2.335 . . . . 75.230000000000004 113.26 -173.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.64 -17.45 64.61 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.183 -1.043 . . . . 72.450000000000003 108.183 170.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -48.98 -56.72 8.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.762 -1.108 . . . . 63.240000000000002 111.737 174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -82.31 -8.59 59.64 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.486 -0.486 . . . . 72.329999999999998 110.684 -175.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -99.44 -1.06 39.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 74.030000000000001 110.202 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.5 ttmm -105.86 139.85 39.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 71.209999999999994 110.207 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.658 ' HG ' HG13 ' A' ' 68' ' ' VAL . 6.4 mt -101.47 130.88 47.81 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.603 -0.726 . . . . 71.510000000000005 110.599 175.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 24.9 t80 -91.55 118.56 30.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.597 -0.729 . . . . 72.319999999999993 109.438 176.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 mm -109.48 98.45 7.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.287 -0.415 . . . . 54.240000000000002 110.328 -177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.26 146.02 17.23 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.193 -1.003 . . . . 32.100000000000001 112.283 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.6 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 88.05 37.59 7.73 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.845 -0.693 . . . . 72.120000000000005 112.412 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.8 pp -103.53 169.61 8.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.797 0.332 . . . . 74.510000000000005 110.795 177.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -74.52 162.38 28.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.963 -0.562 . . . . 60.219999999999999 111.157 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 88.4 m-85 -83.85 8.7 14.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.361 0.6 . . . . 72.349999999999994 110.443 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -106.18 -7.83 17.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.324 -0.853 . . . . 65.109999999999999 109.496 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.564 ' HB ' HD13 ' A' ' 21' ' ' LEU . 25.2 m -70.27 118.16 12.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.496 -0.774 . . . . 60.219999999999999 110.29 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -119.55 163.87 16.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 110.311 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.26 -45.16 65.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 111.507 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.33 -38.73 92.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.599 . . . . 74.129999999999995 111.874 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 p -83.9 -28.18 28.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.542 . . . . 51.420000000000002 110.057 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' O ' ' HD2' ' A' ' 34' ' ' PHE . 3.0 tm? -64.03 -53.59 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.797 -0.816 . . . . 74.439999999999998 108.797 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.575 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.0 ptt180 -66.9 -35.78 80.79 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.026 -0.533 . . . . 75.400000000000006 110.103 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 t -64.39 -31.99 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.633 0.254 . . . . 64.420000000000002 111.132 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 30.1 m-70 -91.26 -6.4 53.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.619 0.229 . . . . 73.439999999999998 111.619 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 36.9 m-85 -111.54 -21.54 11.7 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 62.439999999999998 112.052 177.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.511 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 50.2 mt-10 -72.17 8.15 1.42 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.178 0.513 . . . . 74.340000000000003 111.068 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.1 mt-30 -84.91 -28.07 26.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.031 -0.531 . . . . 71.319999999999993 111.137 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.553 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.1 m-90 -108.9 8.02 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.908 -0.317 . . . . 74.519999999999996 110.645 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.99 -173.89 42.89 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 119.973 -1.108 . . . . 73.340000000000003 113.72 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 27.8 m -102.47 124.55 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.663 0.385 . . . . 72.340000000000003 110.618 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD22 HG23 ' A' ' 60' ' ' VAL . 11.1 mt -92.73 112.36 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.251 0.548 . . . . 42.399999999999999 111.108 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.41 -27.78 34.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.385 -0.825 . . . . 54.310000000000002 109.982 177.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -142.11 94.89 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.7 -0.682 . . . . 74.299999999999997 111.072 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.1 p -107.11 128.47 54.42 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.275 -0.639 . . . . 75.129999999999995 109.275 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.634 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.1 p -157.57 130.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.213 0.53 . . . . 72.129999999999995 112.014 -175.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -107.31 130.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 64.109999999999999 110.089 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.55 ' HE1' ' C8 ' ' B' ' 5' ' ' ' G' . 22.7 mmt -80.77 141.82 34.4 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.612 -0.514 . . . . 64.140000000000001 109.612 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' HG2' ' A' ' 55' ' ' ARG . 8.2 mmt180 -114.08 154.86 27.01 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.582 -0.447 . . . . 63.219999999999999 110.738 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 12.6 t70 -65.14 136.08 96.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.652 -0.704 . . . . 72.549999999999997 109.106 174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.36 -17.92 61.33 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.235 1.957 . . . . 73.129999999999995 112.158 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.0 -58.31 1.9 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.06 -0.518 . . . . 64.349999999999994 110.432 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 16.6 p -74.53 -31.56 62.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.0 110.769 -176.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 11.4 mmmm 62.53 28.92 16.95 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.732 -0.667 . . . . 73.010000000000005 110.28 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 7.0 mpt_? -99.71 -69.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 71.140000000000001 110.536 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.737 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 38.8 t -162.69 160.56 25.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.751 -0.658 . . . . 64.010000000000005 109.496 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 47' ' ' ARG . 42.5 mmm-85 -100.77 -2.55 32.08 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.017 -0.538 . . . . 73.409999999999997 110.275 177.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.508 ' HA3' " O2'" ' B' ' 1' ' ' ' U' . . . 85.82 13.71 69.01 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.757 -0.656 . . . . 72.209999999999994 111.785 -177.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.725 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 11.4 p90 -162.08 159.38 26.11 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.353 0.597 . . . . 63.240000000000002 111.008 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -152.91 177.88 30.33 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.2 -0.909 . . . . 53.039999999999999 111.018 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HE1' ' C2 ' ' B' ' 3' ' ' ' A' . 94.5 m-85 -128.85 149.99 50.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.48 0.657 . . . . 74.239999999999995 111.226 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -144.71 103.64 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.782 -1.099 . . . . 74.510000000000005 109.747 -176.47 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -98.26 119.71 37.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.511 -0.768 . . . . 74.140000000000001 109.651 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.448 ' HE2' HD12 ' A' ' 16' ' ' LEU . 59.5 m-85 -87.19 175.52 8.02 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.804 0.335 . . . . 73.230000000000004 110.628 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.88 65.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 54.439999999999998 109.907 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -138.92 162.22 35.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.462 -0.79 . . . . 75.439999999999998 110.034 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.8 -30.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.446 . . . . 73.25 111.327 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.13 -38.52 73.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 52.25 111.454 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -72.64 -36.42 68.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 65.549999999999997 110.29 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.658 HG13 ' HG ' ' A' ' 16' ' ' LEU . 25.2 t -59.91 -49.23 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 72.430000000000007 110.303 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -60.31 -36.1 77.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.832 -0.622 . . . . 74.040000000000006 110.938 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.24 91.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 63.509999999999998 110.56 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 74.230000000000004 110.473 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.637 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 34.2 mtt -68.94 -42.31 76.89 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.068 -0.515 . . . . 61.32 110.449 177.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -66.67 -15.51 63.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 45.310000000000002 110.451 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 1.35 56.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.761 -0.654 . . . . 64.340000000000003 111.721 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.656 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 36.7 ptt180 -82.46 154.11 68.68 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.106 -0.331 . . . . 61.530000000000001 110.106 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.656 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 39.5 Cg_exo -59.58 128.42 3.98 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.455 -1.477 . . . . 75.439999999999998 112.687 0.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.493 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 28.2 t-80 -80.53 165.72 21.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.257 -0.883 . . . . 62.340000000000003 110.347 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -142.46 110.7 6.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.133 -0.485 . . . . 71.129999999999995 110.373 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 p -140.08 129.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.655 -0.498 . . . . 75.109999999999999 109.655 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 67.46 18.32 10.07 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.617 0.723 . . . . 71.209999999999994 110.156 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.89 6.44 89.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.993 -0.623 . . . . 42.130000000000003 111.673 -176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 21.5 tpp180 -103.87 127.45 51.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.131 -0.322 . . . . 75.120000000000005 110.131 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 69.3 t -77.46 108.0 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.686 -0.487 . . . . 74.140000000000001 109.686 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -106.41 173.28 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 111.071 -176.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.44 107.16 23.82 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.875 -0.602 . . . . 72.319999999999993 110.022 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -89.77 120.48 0.93 Allowed 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 123.111 2.54 . . . . 75.510000000000005 112.258 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -128.49 158.99 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.051 -0.522 . . . . 63.299999999999997 110.505 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.38 124.17 19.16 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.703 -0.48 . . . . 71.530000000000001 109.703 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.726 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -71.34 159.18 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.177 0.513 . . . . 64.040000000000006 111.7 -176.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -109.57 142.72 21.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.016 -0.735 . . . . 44.200000000000003 109.016 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -64.97 140.99 58.92 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.454 -0.498 . . . . 75.400000000000006 110.168 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.486 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -68.9 -11.54 60.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.314 0.578 . . . . 75.310000000000002 109.761 176.061 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.35 -20.16 37.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.33 -0.85 . . . . 73.450000000000003 110.116 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.65 -15.62 14.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.439 -0.8 . . . . 73.519999999999996 110.649 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.3 t -86.26 134.69 33.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.623 -0.717 . . . . 75.510000000000005 110.672 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.58 -34.95 76.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 62.43 110.241 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' HD2' " H2'" ' B' ' 3' ' ' ' A' . 14.2 ptp180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.795 -0.621 . . . . 64.310000000000002 109.739 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 1.084 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.842 1.03 . 0.0 '__' . 71.430000000000007 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 1.084 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C4'-C3'-C2' 103.95 1.25 . 0.0 OUTLIER . 63.130000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.726 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 100.109 -1.545 . 0.228 0b . 75.409999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.554 " H1'" ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 C1'-O4'-C4' 106.343 -3.619 OUTLIER-DELTA 0.0 OUTLIER delta 74.420000000000002 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.903 " C5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 105.269 2.569 OUTLIER-DELTA 0.0 OUTLIER delta-1 73.430000000000007 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.903 H5'' " C5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C4'-C3'-C2' 103.494 0.794 . 0.0 OUTLIER '7D dist 5q' 70.120000000000005 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.439 ' OP2' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 100.764 -0.818 . 0.0 OUTLIER gamma 71.510000000000005 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.468 -0.197 . . . . 55.43 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 64.45 92.34 0.07 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.592 0.557 . . . . 52.409999999999997 111.438 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 118.85 20.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.073 -0.512 . . . . 71.450000000000003 110.379 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.7 m -75.45 108.64 8.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.249 -0.649 . . . . 73.530000000000001 109.249 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.3 98.64 0.34 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.916 -0.583 . . . . 72.519999999999996 111.502 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.821 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 20.2 m -72.93 -53.08 5.39 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.946 -0.57 . . . . 54.509999999999998 110.42 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 6' ' ' SER . 1.5 Cg_endo -82.65 91.31 0.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.226 1.951 . . . . 73.25 109.478 168.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -74.02 90.97 2.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.693 -0.685 . . . . 71.140000000000001 112.276 -167.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 44.0 mm-40 -76.11 128.99 81.77 Favored Pre-proline 0 C--N 1.313 -0.978 0 N-CA-C 108.054 -1.091 . . . . 75.219999999999999 108.054 165.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.61 ' HB2' HD22 ' A' ' 13' ' ' LEU . 64.4 Cg_exo -48.09 118.43 3.16 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.759 2.306 . . . . 75.010000000000005 112.69 -173.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.57 -33.11 75.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.745 -0.661 . . . . 72.239999999999995 109.254 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -51.69 -57.87 7.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.117 -0.947 . . . . 73.450000000000003 112.02 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -84.42 -4.97 59.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.741 -0.384 . . . . 63.049999999999997 111.644 -171.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 9' ' ' GLU . 72.9 mtm180 -101.81 -10.88 19.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.911 0.386 . . . . 74.099999999999994 110.666 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.9 ttmm -91.74 134.96 34.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.251 0.548 . . . . 61.539999999999999 110.052 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 68' ' ' VAL . 9.5 tp -100.75 127.64 47.11 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.352 -0.84 . . . . 74.430000000000007 109.577 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.72 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 18.7 t80 -88.59 115.89 26.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.989 -0.55 . . . . 61.0 109.713 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG13 HD21 ' A' ' 30' ' ' LEU . 9.1 mm -107.4 94.31 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.012 -0.54 . . . . 73.310000000000002 109.946 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.96 145.04 16.48 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.333 -0.937 . . . . 25.129999999999999 111.982 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.93 39.74 6.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.769 -0.729 . . . . 52.509999999999998 112.01 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -109.64 174.23 5.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.166 0.508 . . . . 71.109999999999999 111.53 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -66.99 151.88 46.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.223 -0.899 . . . . 65.230000000000004 111.197 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 69.0 m-85 -78.2 0.93 23.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.29 0.567 . . . . 74.019999999999996 109.901 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.41 -5.97 18.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.402 -0.817 . . . . 74.109999999999999 109.697 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.612 ' HB ' HD13 ' A' ' 21' ' ' LEU . 62.0 m -65.56 103.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 64.519999999999996 110.792 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -97.65 161.1 13.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.328 -0.851 . . . . 70.299999999999997 110.701 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG13 ' A' ' 45' ' ' VAL . 3.1 m-20 -46.31 -49.42 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.998 0.811 . . . . 72.099999999999994 111.505 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 29' ' ' SER . 7.5 pt-20 -64.29 -41.25 96.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.865 -0.607 . . . . 62.329999999999998 111.56 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.3 t -69.89 -35.89 74.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.146 0.498 . . . . 63.310000000000002 109.889 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 HD21 HG13 ' A' ' 18' ' ' ILE . 3.6 tt -69.08 -50.25 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 50.229999999999997 109.468 -177.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 9.3 ptm180 -62.9 -34.03 76.57 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.637 -0.425 . . . . 64.510000000000005 110.219 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.055 0.455 . . . . 52.439999999999998 110.412 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.597 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.7 m-70 -83.6 -11.13 57.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.085 -0.507 . . . . 70.109999999999999 111.424 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 30' ' ' LEU . 32.3 m-85 -110.05 -14.93 14.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.406 0.521 . . . . 71.329999999999998 112.406 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 40' ' ' LEU . 27.9 mt-10 -75.85 15.58 0.51 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.348 0.594 . . . . 64.510000000000005 111.188 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.6 mt-30 -93.69 -36.08 12.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.808 -0.633 . . . . 61.030000000000001 110.649 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.597 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -101.25 11.26 39.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.964 -0.562 . . . . 53.450000000000003 110.221 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.575 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.3 -166.25 37.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.867 -0.683 . . . . 64.310000000000002 112.48 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -115.03 123.08 48.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.304 0.242 . . . . 62.539999999999999 110.825 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.2 mm? -85.49 116.05 23.57 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.981 -0.687 . . . . 53.009999999999998 109.788 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.6 p -83.63 -23.03 32.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.557 -0.747 . . . . 73.299999999999997 109.751 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.7 t70 -147.3 99.59 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.308 -0.86 . . . . 71.200000000000003 110.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' HB2' HG12 ' A' ' 60' ' ' VAL . 12.6 t -113.66 141.01 47.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.727 -0.471 . . . . 74.209999999999994 109.727 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 " H1'" ' B' ' 5' ' ' ' G' . 10.5 p -162.01 140.44 2.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.392 -0.367 . . . . 64.409999999999997 111.045 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 27' ' ' ASP . 15.8 m -116.84 143.5 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.167 0.508 . . . . 73.510000000000005 110.345 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.704 ' HG2' H5'' ' B' ' 4' ' ' ' G' . 1.2 mpt? -90.68 137.55 32.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.763 -0.653 . . . . 74.219999999999999 110.721 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.08 150.5 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.682 -0.69 . . . . 71.329999999999998 109.594 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 12.6 t70 -57.56 139.22 81.36 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.759 -0.655 . . . . 73.519999999999996 110.348 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.48 -17.12 53.03 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.21 1.94 . . . . 72.049999999999997 112.509 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.47 -53.15 2.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.22 0.533 . . . . 62.409999999999997 110.221 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 25.1 p -83.63 -26.5 29.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 61.409999999999997 111.239 -175.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 66.0 21.5 11.29 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.473 -0.785 . . . . 60.100000000000001 111.487 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.05 158.38 16.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 60.299999999999997 108.733 175.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 21.9 m -51.69 128.35 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.004 0.431 . . . . 60.340000000000003 110.738 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -63.2 -39.67 95.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.788 -0.642 . . . . 63.149999999999999 111.5 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.469 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 132.42 7.33 2.81 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.161 -0.775 . . . . 65.099999999999994 111.161 -172.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.652 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 25.6 p90 -155.19 162.21 41.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.944 0.402 . . . . 64.319999999999993 110.826 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.07 -179.59 32.12 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.021 -0.832 . . . . 75.099999999999994 111.021 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.479 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 95.4 m-85 -134.47 152.91 52.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.149 0.5 . . . . 75.409999999999997 111.322 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -148.22 112.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 74.349999999999994 110.356 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.584 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 4.4 m -93.18 117.12 29.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.675 -0.693 . . . . 64.230000000000004 109.321 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -79.06 178.22 8.2 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.66 0.267 . . . . 75.239999999999995 110.72 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.72 49.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.284 0.564 . . . . 53.240000000000002 109.673 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.2 t -144.33 157.31 44.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.391 -0.822 . . . . 61.340000000000003 110.087 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.77 -23.54 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 70.420000000000002 111.856 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -61.92 -33.42 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.979 0.419 . . . . 74.230000000000004 111.14 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 28.5 mt-10 -76.32 -36.83 58.1 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.974 -0.557 . . . . 70.200000000000003 109.902 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.624 HG13 HD13 ' A' ' 16' ' ' LEU . 25.7 t -56.69 -48.05 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.52 -0.764 . . . . 32.329999999999998 110.572 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.94 -41.1 91.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 54.409999999999997 110.951 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.95 98.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 62.039999999999999 110.75 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.21 79.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.031 -0.531 . . . . 60.240000000000002 110.628 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.537 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 43.0 mtt -67.27 -45.85 75.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.992 -0.549 . . . . 74.209999999999994 110.508 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -59.51 -23.37 62.76 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.011 0.434 . . . . 35.119999999999997 110.688 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.58 0.88 32.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.786 -0.643 . . . . 75.549999999999997 112.053 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 21.9 ptt180 -73.1 147.36 88.12 Favored Pre-proline 0 C--O 1.233 0.226 0 N-CA-C 110.209 -0.293 . . . . 71.030000000000001 110.209 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 42.3 Cg_endo -66.58 127.14 7.85 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.348 -1.522 . . . . 73.129999999999995 112.616 1.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 30.0 t-80 -80.74 162.84 23.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.84 -0.618 . . . . 71.540000000000006 109.763 -177.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -141.8 112.45 7.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.437 -0.347 . . . . 74.299999999999997 110.188 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.4 p -137.0 129.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.352 -0.385 . . . . 74.209999999999994 110.225 176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.2 t70 64.71 19.64 11.89 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.554 -0.748 . . . . 63.350000000000001 110.383 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.94 17.53 74.58 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 115.935 -0.575 . . . . 52.210000000000001 112.562 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -120.74 121.88 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.935 -0.394 . . . . 71.310000000000002 109.935 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 88.5 t -64.41 120.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.88 -0.6 . . . . 72.420000000000002 109.948 174.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.6 m -115.64 174.94 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.053 0.454 . . . . 71.219999999999999 111.41 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.81 105.7 29.58 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.648 -0.706 . . . . 73.099999999999994 109.498 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HB2' HD21 ' A' ' 16' ' ' LEU . 29.8 Cg_endo -89.96 107.68 0.38 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 123.057 2.505 . . . . 64.329999999999998 112.268 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.65 162.04 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.984 -0.553 . . . . 63.210000000000001 110.778 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 130.75 46.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.282 -0.417 . . . . 75.349999999999994 110.125 176.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -73.22 139.72 46.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.141 0.496 . . . . 71.109999999999999 111.326 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 91' ' ' SER . 12.2 p -96.78 168.36 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.03 -0.73 . . . . 73.209999999999994 109.03 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 90' ' ' VAL . 14.8 m -57.64 142.19 45.75 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.278 -0.267 . . . . 74.239999999999995 110.278 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.674 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 8.2 ptm180 -58.44 -56.28 24.16 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.143 0.423 . . . . 72.430000000000007 112.143 -173.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.59 -34.35 78.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.976 0.417 . . . . 61.439999999999998 111.255 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.61 -21.08 66.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.508 -0.769 . . . . 74.109999999999999 111.595 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.779 ' HB3' ' N2 ' ' B' ' 4' ' ' ' G' . 32.8 t -111.61 -24.33 10.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.546 -0.297 . . . . 53.130000000000003 110.907 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 92' ' ' ARG . 47.3 mt-30 -67.38 -46.49 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.023 0.439 . . . . 74.420000000000002 110.606 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.517 -0.754 . . . . 74.420000000000002 110.108 178.306 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 1.066 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 C3'-C2'-C1' 103.341 2.045 . 0.0 '__' . 74.209999999999994 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 1.066 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C4'-C3'-C2' 104.863 2.163 . 0.0 OUTLIER . 72.340000000000003 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.765 " H1'" ' C2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 108.585 1.561 . 0.0 OUTLIER gamma 71.310000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.805 " H4'" H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 C1'-O4'-C4' 106.616 -3.315 OUTLIER-DELTA 0.0 OUTLIER delta 73.219999999999999 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.805 H5'' " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C4'-C3'-C2' 104.304 1.604 . 0.0 OUTLIER delta-1 75.310000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.614 " H1'" ' H5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 C4'-C3'-C2' 104.82 2.12 . 0.0 OUTLIER zeta-1 71.140000000000001 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.614 ' H5 ' " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-C2' 107.727 0.948 . 0.0 OUTLIER . 72.510000000000005 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.756 0.312 . . . . 55.329999999999998 110.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -62.77 153.68 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.849 -0.614 . . . . 70.099999999999994 110.582 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -111.03 169.1 8.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.847 0.355 . . . . 65.129999999999995 110.984 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -66.86 147.49 53.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.949 -0.569 . . . . 72.519999999999996 109.967 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -76.9 142.02 40.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.874 0.369 . . . . 75.329999999999998 110.9 -176.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.759 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 19.2 m -71.82 -55.39 5.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.034 -0.53 . . . . 63.549999999999997 111.501 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.759 ' HD3' ' HB2' ' A' ' 6' ' ' SER . 7.6 Cg_exo -73.11 99.53 1.11 Allowed 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.867 1.711 . . . . 71.450000000000003 111.732 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.87 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -100.26 18.66 18.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.298 -0.41 . . . . 64.329999999999998 110.795 -179.143 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.1 mp0 -55.49 138.69 68.36 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 115.8 -0.636 . . . . 74.150000000000006 110.717 178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 52.1 Cg_exo -54.56 124.36 15.94 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 123.275 2.65 . . . . 75.150000000000006 113.679 -174.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -34.82 75.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.934 -1.03 . . . . 73.420000000000002 110.69 175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.8 pt20 -68.23 -31.5 71.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.295 0.569 . . . . 65.120000000000005 110.362 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 15.8 tp -72.55 -38.93 67.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.554 -0.748 . . . . 44.32 110.547 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' HG2' HG13 ' A' ' 65' ' ' VAL . 95.9 mtt180 -81.06 -8.46 59.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.127 -0.942 . . . . 72.0 110.896 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 3.9 ttmp? -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.922 -0.581 . . . . 73.140000000000001 111.637 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.67 132.14 45.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.359 -0.837 . . . . 72.409999999999997 110.636 174.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 32.0 t80 -92.58 111.54 23.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.98 -0.748 . . . . 62.149999999999999 108.98 174.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' A' ' 16' ' ' LEU . 19.3 mm -106.05 102.81 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.382 -0.372 . . . . 74.230000000000004 110.438 -175.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.644 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -111.48 147.05 17.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.252 -0.975 . . . . 73.209999999999994 112.45 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.69 53.68 2.83 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.986 -0.626 . . . . 54.240000000000002 112.68 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.2 pp -123.89 166.36 15.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.672 0.272 . . . . 51.049999999999997 110.882 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.19 160.97 23.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.11 -0.495 . . . . 74.400000000000006 111.726 -174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.53 1.3 30.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.476 0.655 . . . . 75.120000000000005 110.047 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -101.06 -14.32 17.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.276 -0.874 . . . . 74.299999999999997 109.597 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.66 ' HB ' HD13 ' A' ' 21' ' ' LEU . 33.2 m -72.27 109.66 6.17 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.197 -0.91 . . . . 73.430000000000007 110.576 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 28' ' ' GLU . 7.2 t -117.04 168.76 9.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.877 -0.601 . . . . 74.310000000000002 109.855 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.93 -50.7 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.752 0.658 . . . . 72.340000000000003 111.319 -175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.55 ' HG2' HG23 ' A' ' 26' ' ' THR . 12.7 pt-20 -63.88 -44.68 92.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.652 -0.704 . . . . 74.129999999999995 111.95 -176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.8 p -80.77 -25.12 38.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.14 0.495 . . . . 64.099999999999994 110.404 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.508 HD13 HG12 ' A' ' 45' ' ' VAL . 8.2 tt -76.76 -45.73 27.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.788 -0.642 . . . . 63.25 109.663 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.604 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 14.7 ptt180 -65.07 -34.15 77.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.029 -0.532 . . . . 72.340000000000003 110.229 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -62.25 -22.78 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 52.100000000000001 111.054 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.44 ' CD2' HG23 ' A' ' 79' ' ' VAL . 44.8 m-70 -89.65 -38.89 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.140000000000001 111.056 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' HB2' HD11 ' A' ' 40' ' ' LEU . 51.4 m-85 -82.51 -19.44 38.69 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 112.182 0.438 . . . . 75.519999999999996 112.182 -176.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 40.6 mt-10 -74.49 9.33 1.78 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.781 0.324 . . . . 73.030000000000001 110.96 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -90.59 -24.33 20.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.533 -0.303 . . . . 72.209999999999994 111.425 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -113.82 13.66 18.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.967 0.413 . . . . 72.319999999999993 110.4 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.549 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.48 -176.55 38.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.325 -0.941 . . . . 72.310000000000002 113.239 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -99.54 123.21 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.7 0.286 . . . . 64.129999999999995 111.152 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD22 ' HB ' ' A' ' 60' ' ' VAL . 19.8 mt -93.91 112.76 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.988 -0.375 . . . . 61.130000000000003 109.988 176.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.1 p -80.61 -29.86 36.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.384 0.611 . . . . 62.119999999999997 109.449 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 15.0 m-20 -138.3 87.01 2.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.226 -0.897 . . . . 61.340000000000003 109.683 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 1.3 p -111.15 117.7 33.95 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.654 -0.703 . . . . 64.439999999999998 110.122 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.8 p -159.09 139.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.174 -0.466 . . . . 55.109999999999999 110.919 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG12 HD13 ' A' ' 30' ' ' LEU . 23.9 m -101.6 163.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.348 -0.387 . . . . 75.519999999999996 110.096 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.566 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 24.2 mmt -100.66 142.8 31.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.596 -0.442 . . . . 74.420000000000002 110.423 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -106.25 162.81 13.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.267 -0.424 . . . . 65.329999999999998 110.329 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.2 t70 -68.02 136.84 91.94 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.647 -0.706 . . . . 64.140000000000001 109.241 172.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.84 -4.47 14.81 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 122.425 2.083 . . . . 75.239999999999995 113.145 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -115.9 -58.08 2.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.194 0.521 . . . . 63.350000000000001 109.759 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.691 ' HB ' HH11 ' A' ' 53' ' ' ARG . 17.3 p -76.65 -31.56 57.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.43 -0.805 . . . . 72.439999999999998 110.9 -176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.8 mmmt 69.4 25.68 5.43 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.546 -0.752 . . . . 51.109999999999999 111.581 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.691 HH11 ' HB ' ' A' ' 51' ' ' THR . 4.9 mpt_? -103.89 173.75 6.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.313 -0.995 . . . . 64.299999999999997 108.313 172.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -54.23 125.16 18.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.235 0.541 . . . . 75.030000000000001 109.966 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.847 ' HD3' ' HE2' ' A' ' 57' ' ' PHE . 5.7 ttt180 -72.77 -27.59 62.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.43 -0.805 . . . . 74.230000000000004 110.946 -173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.501 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 120.68 13.21 5.72 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.729 -0.748 . . . . 52.32 112.124 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.847 ' HE2' ' HD3' ' A' ' 55' ' ' ARG . 10.5 p90 -165.53 166.26 18.39 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.943 -0.392 . . . . 72.109999999999999 109.943 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.58 -173.98 29.83 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.904 -0.665 . . . . 73.319999999999993 112.506 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 89.3 m-85 -131.96 150.32 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.336 0.588 . . . . 71.510000000000005 111.167 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.625 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -142.46 110.54 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.37 -0.832 . . . . 62.25 110.888 176.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 7.8 m -98.79 108.98 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.649 -0.705 . . . . 60.43 109.585 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HE2' HD12 ' A' ' 16' ' ' LEU . 63.4 m-85 -75.44 171.13 14.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.746 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.42 62.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.344 0.592 . . . . 63.240000000000002 109.841 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.556 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.9 t -151.31 156.11 40.12 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.33 -0.85 . . . . 62.0 109.799 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -62.3 -20.73 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 45.340000000000003 111.087 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -58.18 -36.82 73.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.685 . . . . 62.140000000000001 110.433 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.556 ' HG3' HG23 ' A' ' 64' ' ' THR . 23.2 mt-10 -79.17 -35.34 42.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.719 -0.673 . . . . 74.530000000000001 110.138 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 72' ' ' MET . 31.4 t -56.37 -48.38 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.605 -0.725 . . . . 71.340000000000003 110.498 175.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.93 -38.94 83.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 73.129999999999995 110.952 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.08 93.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.74 0.305 . . . . 75.140000000000001 110.658 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.47 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.141 0.496 . . . . 75.540000000000006 110.392 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 38.8 mtt -70.54 -32.58 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 75.109999999999999 110.518 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -75.0 -15.6 60.65 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.019 0.437 . . . . 74.219999999999999 110.464 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.79 9.46 16.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.911 -0.586 . . . . 64.299999999999997 111.264 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 15.2 ptt180 -73.86 148.66 87.33 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.081 -0.509 . . . . 74.349999999999994 110.412 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 8.1 Cg_exo -71.84 124.17 8.47 Favored 'Cis proline' 0 C--O 1.233 0.251 0 C-N-CA 123.615 -1.41 . . . . 72.230000000000004 111.544 -1.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 16.8 t-80 -67.85 155.44 39.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.249 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 5.2 tppp? -142.19 101.89 4.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 71.140000000000001 110.466 -174.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 33' ' ' HIS . 1.4 p -126.71 126.58 68.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.214 -0.448 . . . . 70.049999999999997 109.947 176.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 t70 65.13 21.41 12.16 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 75.319999999999993 110.189 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 79.19 12.21 84.23 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.857 -0.687 . . . . 42.109999999999999 111.969 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.9 tpt85 -111.67 127.44 55.76 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.066 -0.346 . . . . 73.239999999999995 110.066 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 57.2 t -78.61 107.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 109.826 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 33.2 m -100.51 172.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.046 -0.524 . . . . 74.310000000000002 111.195 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 43.9 tt0 -122.02 106.66 36.17 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.725 -0.67 . . . . 73.150000000000006 109.728 177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 10.8 Cg_endo -88.89 108.68 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.156 2.571 . . . . 73.109999999999999 112.317 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -115.45 159.91 20.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.101 -0.499 . . . . 74.409999999999997 110.679 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -62.8 136.68 57.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.393 . . . . 63.420000000000002 110.022 175.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.712 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.47 157.68 26.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.318 0.58 . . . . 62.130000000000003 111.631 -177.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.0 t -119.47 160.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.247 -0.888 . . . . 72.129999999999995 109.237 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.445 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 1.8 p -63.36 136.55 57.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.806 0.336 . . . . 74.019999999999996 110.486 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.467 ' HG2' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -72.92 -21.24 60.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.152 0.501 . . . . 52.520000000000003 110.367 -177.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' OE2' ' HG2' ' A' ' 92' ' ' ARG . 1.9 mp0 -70.83 -37.4 73.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.596 -0.729 . . . . 65.549999999999997 110.2 175.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -87.46 -20.6 26.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.414 -0.812 . . . . 73.010000000000005 111.565 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 19.7 p -72.45 136.29 45.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.675 -0.491 . . . . 53.130000000000003 109.675 174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 95' ' ' SER . 27.5 mm-40 67.85 20.58 9.29 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.48 0.488 . . . . 63.009999999999998 110.757 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.421 -0.8 . . . . 70.299999999999997 109.045 177.705 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.822 ' C6 ' H5'' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C4'-C3'-C2' 105.871 3.171 OUTLIER-DELTA 0.0 '__' . 74.319999999999993 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.644 ' C2 ' ' HA3' ' A' ' 19' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 100.335 -1.294 . 0.0 OUTLIER . 73.430000000000007 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.847 " H5'" ' CZ ' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -1.003 1 C3'-C2'-C1' 97.542 -4.397 . 0.0 OUTLIER gamma 75.230000000000004 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.653 ' O6 ' ' HB1' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 98.898 -2.891 . 0.0 OUTLIER alpha 75.200000000000003 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.94 " O5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C4'-C3'-C2' 106.134 3.434 OUTLIER-DELTA 0.0 OUTLIER alpha 74.25 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.94 H5'' " O5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.113 0 C3'-C2'-C1' 99.732 -1.964 . 0.0 OUTLIER zeta-1 62.43 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.46 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C4'-C3'-C2' 103.776 1.076 . 0.0 OUTLIER gamma 71.409999999999997 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.797 0.332 . . . . 52.530000000000001 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -71.75 140.64 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.962 0.41 . . . . 72.439999999999998 110.976 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.67 -157.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.794 -0.639 . . . . 75.540000000000006 110.228 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -60.75 111.0 1.46 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.951 0.405 . . . . 53.420000000000002 110.103 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.23 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.161 -0.472 . . . . 71.430000000000007 110.86 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -143.96 94.55 5.86 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.501 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.39 148.96 84.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.657 2.238 . . . . 70.230000000000004 111.287 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -93.93 87.84 5.52 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.575 -0.528 . . . . 65.25 109.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.968 ' HG3' ' HD2' ' A' ' 14' ' ' ARG . 42.7 tt0 -117.97 87.0 26.73 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 74.349999999999994 112.048 -175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.636 ' HG2' HD21 ' A' ' 13' ' ' LEU . 2.7 Cg_exo -78.73 116.31 3.75 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.468 2.112 . . . . 53.399999999999999 109.996 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 61' ' ' THR . 34.9 tt0 -62.54 -24.35 67.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 71.400000000000006 110.255 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.56 -50.95 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 72.319999999999993 111.317 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 10' ' ' PRO . 3.9 pp -90.27 -13.11 36.0 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.575 -0.45 . . . . 73.530000000000001 111.742 -172.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.968 ' HD2' ' HG3' ' A' ' 9' ' ' GLU . 89.9 mtt180 -95.88 -7.17 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.665 0.269 . . . . 70.030000000000001 111.008 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -92.31 135.88 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 74.510000000000005 110.374 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.566 ' HG ' HG13 ' A' ' 68' ' ' VAL . 4.9 mt -95.58 128.1 42.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.761 -0.654 . . . . 55.130000000000003 110.746 174.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 23.1 t80 -89.23 113.8 25.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 63.549999999999997 109.199 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.4 mm -106.35 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.293 -0.412 . . . . 65.140000000000001 110.398 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.32 141.12 15.74 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.15 -1.024 . . . . 72.319999999999993 112.207 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.92 46.68 2.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.594 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.3 pp -117.34 170.03 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.58 0.229 . . . . 73.319999999999993 110.4 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 12.2 m -80.74 167.56 19.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.999 0.428 . . . . 73.549999999999997 111.058 -173.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.675 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 97.5 m-85 -78.71 -5.27 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.232 0.539 . . . . 51.509999999999998 110.694 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -95.4 -7.1 39.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.771 -0.65 . . . . 74.519999999999996 109.353 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 23.6 m -78.02 102.8 7.58 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.182 -0.917 . . . . 72.150000000000006 110.276 176.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' HG2' ' A' ' 28' ' ' GLU . 8.9 t -106.83 172.08 7.02 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.811 -0.44 . . . . 73.519999999999996 109.811 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' HA ' HG23 ' A' ' 45' ' ' VAL . 1.6 m-20 -50.15 -49.23 52.81 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.77 0.669 . . . . 72.25 111.74 -173.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.516 ' HG2' HG23 ' A' ' 26' ' ' THR . 14.5 pt-20 -62.71 -37.51 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 71.010000000000005 111.153 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.209 0.528 . . . . 75.109999999999999 109.931 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HA ' HG21 ' A' ' 79' ' ' VAL . 4.9 tt -75.48 -50.39 15.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.43 -0.804 . . . . 75.510000000000005 110.227 -173.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 3.7 ptm180 -60.74 -41.31 95.14 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.777 -0.369 . . . . 75.209999999999994 110.348 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 m -65.47 -22.54 66.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.876 0.37 . . . . 61.439999999999998 111.362 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -81.76 -46.19 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.763 0.316 . . . . 55.210000000000001 110.638 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' HB2' HD11 ' A' ' 40' ' ' LEU . 31.4 m-85 -79.15 -13.97 59.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.186 0.439 . . . . 62.039999999999999 112.186 -174.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 56.6 mt-10 -78.66 13.32 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.072 0.463 . . . . 73.010000000000005 111.066 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.7 mt-30 -88.93 -33.64 17.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.209 0.528 . . . . 74.109999999999999 110.396 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 27.0 m-90 -102.79 9.64 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.871 -0.604 . . . . 62.119999999999997 110.556 -177.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.55 -170.73 39.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.256 -0.973 . . . . 45.409999999999997 113.345 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 32.3 m -106.87 124.29 49.4 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.503 0.321 . . . . 72.239999999999995 110.608 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.766 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.4 mt -93.94 108.26 20.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.103 -0.332 . . . . 74.340000000000003 110.103 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.9 p -82.99 -19.14 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.453 0.644 . . . . 62.229999999999997 109.72 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.586 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 18.6 t70 -145.82 97.28 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.119 -0.946 . . . . 62.43 109.863 -177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 5.5 p -121.71 143.65 49.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.65 0.262 . . . . 72.420000000000002 110.496 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 13.6 p -165.51 148.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.412 -0.358 . . . . 64.120000000000005 110.618 -178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG23 ' HA ' ' A' ' 27' ' ' ASP . 87.5 t -113.36 139.31 39.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.836 -0.431 . . . . 62.240000000000002 109.836 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.609 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 24.5 mmt -82.74 128.76 34.68 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.251 -0.648 . . . . 74.200000000000003 109.251 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.563 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 27.8 mtm180 -122.67 161.55 23.62 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.551 -0.75 . . . . 62.310000000000002 111.159 -170.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.548 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 22.2 t70 -60.7 139.63 93.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 75.120000000000005 110.513 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.62 -8.74 23.22 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.717 2.278 . . . . 75.409999999999997 112.634 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -114.33 -60.84 1.83 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.009 0.433 . . . . 63.32 110.025 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 53' ' ' ARG . 18.0 p -74.05 -30.72 62.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.809 -0.632 . . . . 51.030000000000001 111.006 -175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 63.42 24.21 14.04 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.424 -0.807 . . . . 73.439999999999998 110.843 -176.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 24.7 mmm180 -88.96 -65.4 1.02 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.847 -0.341 . . . . 62.549999999999997 110.793 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.675 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 28.2 t -170.5 158.7 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 72.5 110.016 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -104.11 -25.49 12.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 72.420000000000002 110.6 175.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.66 13.48 7.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.509 -0.853 . . . . 60.32 112.608 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CZ ' H5'' ' B' ' 3' ' ' ' A' . 17.0 p90 -161.77 164.0 29.19 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.718 0.294 . . . . 75.319999999999993 110.715 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.4 -169.96 22.51 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.282 -0.485 . . . . 74.450000000000003 112.317 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.537 ' HE2' ' HE3' ' A' ' 46' ' ' MET . 96.7 m-85 -137.56 151.96 48.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 65.430000000000007 111.105 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.766 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -150.15 109.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 64.219999999999999 111.08 179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 m -94.75 119.76 33.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.704 -0.68 . . . . 55.450000000000003 109.706 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' THR . 46.4 m-85 -84.71 169.47 14.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.38 -0.373 . . . . 73.140000000000001 110.931 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.6 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 61.219999999999999 110.572 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.494 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.2 t -156.72 158.03 36.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.749 -0.659 . . . . 62.310000000000002 110.398 178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 27.3 m -58.31 -33.64 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 113.224 0.824 . . . . 73.400000000000006 113.224 -173.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.65 -21.07 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.674 -0.41 . . . . 74.319999999999993 111.681 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 11.5 mt-10 -74.41 -32.54 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.231 -0.655 . . . . 73.340000000000003 109.231 174.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -63.57 -44.09 98.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.461 -0.791 . . . . 54.310000000000002 109.611 172.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.49 -46.99 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.454 -0.794 . . . . 70.120000000000005 110.414 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -40.1 79.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.773 0.32 . . . . 41.210000000000001 111.398 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.16 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 51.109999999999999 111.036 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 75' ' ' ARG . 45.5 mtt -69.02 -36.2 77.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.391 . . . . 65.120000000000005 110.5 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -71.72 -18.04 62.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.928 -0.578 . . . . 71.040000000000006 109.809 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.24 4.51 42.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.366 -0.834 . . . . 63.009999999999998 110.588 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.579 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 30.2 ttp180 -83.45 137.32 42.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 74.430000000000007 109.505 174.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.579 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 46.8 Cg_endo -66.83 128.01 9.11 Favored 'Cis proline' 0 C--N 1.344 0.326 0 C-N-CA 123.502 -1.457 . . . . 61.409999999999997 113.068 5.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.525 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 31.9 t-80 -84.89 167.52 15.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.428 -0.805 . . . . 73.109999999999999 109.934 -175.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 4.1 tppp? -143.47 109.68 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.811 0.339 . . . . 62.229999999999997 110.977 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 ' HA ' ' A' ' 30' ' ' LEU . 1.6 p -138.65 128.98 33.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.072 -0.513 . . . . 63.210000000000001 109.86 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.519 ' OD2' ' HB2' ' A' ' 22' ' ' SER . 37.9 t70 65.14 28.1 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.634 0.73 . . . . 72.430000000000007 110.351 -177.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.515 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 71.11 16.37 74.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.787 -0.721 . . . . 64.239999999999995 111.86 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 5.9 tpp180 -117.78 129.98 56.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.304 -0.258 . . . . 62.439999999999998 110.304 -178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 96.1 t -78.91 118.03 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 42.030000000000001 109.914 176.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 77' ' ' HIS . 32.7 m -113.51 163.14 11.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.976 0.417 . . . . 74.540000000000006 111.405 -175.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.35 105.04 51.17 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 53.450000000000003 110.19 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 9.5 Cg_endo -88.59 114.29 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.322 2.682 . . . . 74.019999999999996 112.478 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -126.74 159.76 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.511 -0.313 . . . . 72.099999999999994 110.863 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.67 132.41 53.76 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 110.315 -0.254 . . . . 73.430000000000007 110.315 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.746 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.01 162.9 24.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 71.209999999999994 112.054 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.4 t -116.06 154.6 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.428 -0.806 . . . . 73.310000000000002 109.278 176.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -58.34 133.3 55.59 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.985 -0.376 . . . . 53.32 109.985 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.509 ' CD ' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.33 -20.3 63.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.087 0.47 . . . . 73.329999999999998 111.262 -175.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.42 -19.31 60.46 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.988 -0.551 . . . . 72.329999999999998 110.198 175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -86.03 -36.44 19.72 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.571 -0.74 . . . . 62.229999999999997 110.728 -178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.512 ' HB2' " O2'" ' B' ' 3' ' ' ' A' . 11.5 p -74.7 -75.94 0.15 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.024 -0.989 . . . . 74.439999999999998 112.746 -166.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 56.9 66.15 1.24 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.616 0.722 . . . . 75.219999999999999 110.403 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.547 -0.752 . . . . 71.140000000000001 109.905 177.172 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.676 " H3'" " H5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.446 -0.616 0 C4'-C3'-C2' 105.503 2.803 OUTLIER-DELTA 0.0 '__' . 65.329999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.705 ' OP2' " H3'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 104.314 1.614 . 0.0 OUTLIER . 75.430000000000007 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.855 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 1 C3'-C2'-C1' 97.525 -4.417 . 0.0 OUTLIER alpha 75.140000000000001 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.855 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C1'-O4'-C4' 106.577 -3.359 . 0.0 OUTLIER alpha 74.030000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.845 ' N7 ' ' H8 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-C1' 100.383 -1.241 . 0.0 OUTLIER . 73.030000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.716 " H2'" ' H5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 C3'-C2'-C1' 102.764 1.405 . 0.0 OUTLIER gamma 65.510000000000005 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.825 ' C5 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C4'-C3'-C2' 104.303 1.603 . 0.01 2g . 62.509999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.715 0.293 . . . . 52.520000000000003 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -72.21 93.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.144 0.497 . . . . 61.409999999999997 110.573 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -101.4 0.39 36.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.943 -0.572 . . . . 74.340000000000003 110.81 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m 67.81 5.45 4.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.71 -0.677 . . . . 75.099999999999994 112.482 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -104.15 23.93 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.099 0.476 . . . . 75.420000000000002 110.808 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 13.1 m -69.29 146.54 96.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 73.109999999999999 110.152 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' SER . 37.6 Cg_exo -59.5 111.69 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.791 2.327 . . . . 70.439999999999998 112.387 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -12.87 57.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 71.430000000000007 111.092 -179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.671 ' HB3' ' HD3' ' A' ' 14' ' ' ARG . 43.8 mm-40 -86.12 113.16 50.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 109.961 175.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.32 136.67 76.02 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.707 2.271 . . . . 74.129999999999995 112.16 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -61.18 -35.64 77.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.772 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -51.39 -58.84 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 62.43 112.207 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -8.45 59.17 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.469 -0.492 . . . . 70.040000000000006 111.478 -171.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.671 ' HD3' ' HB3' ' A' ' 9' ' ' GLU . 50.4 mtm105 -91.51 -17.64 25.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.825 -0.435 . . . . 72.129999999999995 109.825 173.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 21.4 ttmm -84.53 128.79 34.79 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.36 0.6 . . . . 75.140000000000001 109.835 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 60' ' ' VAL . 9.7 tp -99.12 126.57 44.9 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.225 -0.898 . . . . 72.549999999999997 109.741 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 29.8 t80 -83.98 112.8 20.5 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.365 -0.606 . . . . 74.030000000000001 109.365 176.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 15.8 mm -104.42 92.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.951 -0.568 . . . . 71.310000000000002 109.934 -177.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 57' ' ' PHE . . . -101.14 142.49 15.77 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.179 -1.01 . . . . 63.420000000000002 110.921 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.99 ' HA2' " H5'" ' B' ' 1' ' ' ' U' . . . 90.17 40.52 5.78 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.357 -0.925 . . . . 75.439999999999998 112.055 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -105.48 166.11 10.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.093 -0.706 . . . . 74.239999999999995 109.093 173.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.542 ' HA ' ' C5 ' ' B' ' 1' ' ' ' U' . 97.0 p -75.64 175.22 8.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 75.409999999999997 111.678 -170.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.808 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 82.5 m-85 -85.8 2.19 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.274 0.559 . . . . 74.329999999999998 109.798 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -108.42 -10.68 15.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 75.439999999999998 109.704 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.6 m -64.57 126.37 27.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.757 -0.656 . . . . 61.409999999999997 109.918 174.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 t -131.82 165.79 23.04 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.144 -0.317 . . . . 64.129999999999995 110.144 -176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HA ' HG23 ' A' ' 45' ' ' VAL . 4.3 m-20 -52.09 -40.84 61.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 71.120000000000005 111.647 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.35 -41.58 76.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.82 -0.627 . . . . 72.219999999999999 111.686 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 p -77.98 -31.27 50.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.145 -0.622 . . . . 75.239999999999995 109.535 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 45' ' ' VAL . 18.2 tp -61.73 -46.03 91.41 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.744 -0.662 . . . . 54.219999999999999 109.494 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.569 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.0 ptm180 -66.94 -43.22 83.76 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.373 -0.531 . . . . 71.530000000000001 109.898 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -62.34 -33.04 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.823 0.344 . . . . 72.420000000000002 111.703 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.405 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 21.8 m80 -81.62 -15.97 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.859 0.318 . . . . 72.420000000000002 111.859 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 40.3 m-85 -112.23 -19.22 12.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.793 0.664 . . . . 63.130000000000003 112.793 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' CD ' ' HE ' ' A' ' 31' ' ' ARG . 41.4 mt-10 -77.34 13.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.463 0.649 . . . . 63.229999999999997 110.344 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.3 mt-30 -79.58 -37.44 36.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.474 -0.784 . . . . 72.140000000000001 110.751 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.4 m-90 -107.39 10.52 29.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 75.230000000000004 110.499 -177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.37 -165.99 38.24 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.075 -1.06 . . . . 31.149999999999999 113.442 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 33.1 m -115.53 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 122.569 0.348 . . . . 75.129999999999995 110.566 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 60' ' ' VAL . 35.1 mt -92.96 109.91 21.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.206 0.527 . . . . 73.140000000000001 110.487 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.8 p -81.16 -17.79 48.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.499 -0.773 . . . . 73.420000000000002 110.094 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 61' ' ' THR . 25.4 t70 -148.31 105.39 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 63.210000000000001 110.519 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.5 p -114.31 131.5 56.5 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 110.019 -0.363 . . . . 63.450000000000003 110.019 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.2 p -156.34 125.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.267 0.556 . . . . 62.030000000000001 111.115 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 HD22 ' A' ' 30' ' ' LEU . 74.6 t -100.46 145.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.468 -0.568 . . . . 71.420000000000002 109.468 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.63 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 25.2 mmt -87.19 130.97 34.34 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.865 -0.42 . . . . 70.310000000000002 109.865 176.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -111.03 144.72 39.7 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.326 -0.397 . . . . 74.5 109.987 -179.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.499 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 15.6 t70 -55.27 138.79 66.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.374 -0.83 . . . . 74.109999999999999 110.634 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.45 -15.94 52.46 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 122.551 2.168 . . . . 71.040000000000006 112.061 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -107.94 -62.3 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 63.25 110.134 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 53' ' ' ARG . 18.1 p -72.4 -33.1 66.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 75.430000000000007 111.106 -174.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 65.21 29.75 11.66 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.109 -0.496 . . . . 72.5 111.471 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -108.57 -66.14 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.77 -0.372 . . . . 60.43 110.766 175.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 43.9 t -152.1 149.05 28.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.882 0.372 . . . . 74.420000000000002 110.529 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 41.7 mtp180 -102.84 1.65 34.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.731 -0.668 . . . . 74.299999999999997 110.484 174.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.07 13.12 66.86 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.654 -0.784 . . . . 62.109999999999999 112.705 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.929 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 27.8 p90 -160.98 157.15 25.88 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.044 0.45 . . . . 63.439999999999998 111.2 177.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.71 -177.15 28.65 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.707 -0.679 . . . . 52.439999999999998 111.472 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -135.45 150.81 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.313 0.578 . . . . 65.340000000000003 111.311 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.678 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -148.92 111.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.203 -0.908 . . . . 74.319999999999993 110.618 -176.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 3.0 m -94.53 114.37 26.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.484 -0.78 . . . . 74.109999999999999 110.333 -176.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 39' ' ' THR . 64.9 m-85 -80.11 166.36 21.57 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.785 0.326 . . . . 74.25 110.907 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.12 -34.22 70.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.241 0.543 . . . . 73.230000000000004 110.016 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.7 t -143.19 154.25 43.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.456 -0.793 . . . . 61.25 109.893 177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' HB ' ' NH2' ' A' ' 88' ' ' ARG . 28.2 m -55.72 -26.07 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.409999999999997 111.569 177.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.37 -43.85 75.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.341 0.591 . . . . 74.409999999999997 110.91 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 64' ' ' THR . 20.9 mt-10 -71.47 -34.25 70.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 72.040000000000006 110.333 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 16' ' ' LEU . 48.3 t -58.57 -48.47 85.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.551 -0.749 . . . . 73.209999999999994 110.285 174.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -57.61 -45.69 85.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.789 -0.641 . . . . 61.539999999999999 110.361 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.84 80.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 74.019999999999996 111.246 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.24 78.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.384 -0.371 . . . . 72.120000000000005 111.172 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.4 mtt -69.93 -31.47 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.978 0.418 . . . . 74.239999999999995 110.725 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -80.98 -12.28 59.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 71.140000000000001 111.182 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.64 10.68 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.887 0.375 . . . . 62.43 111.741 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.673 ' HD3' ' HD2' ' A' ' 86' ' ' PRO . 87.2 mtm180 -75.42 157.74 84.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.396 -0.366 . . . . 71.200000000000003 110.825 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 21.0 Cg_exo -65.09 130.01 10.21 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.932 -1.278 . . . . 71.239999999999995 112.888 1.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -80.77 147.9 30.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 64.319999999999993 110.202 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.0 tppt? -131.89 112.59 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 71.439999999999998 110.528 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG21 ' CE2' ' A' ' 34' ' ' PHE . 90.5 t -124.82 119.35 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.249 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.75 25.04 14.04 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.537 0.684 . . . . 41.219999999999999 110.701 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.55 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 81.85 7.66 87.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.592 -0.813 . . . . 72.129999999999995 111.99 -177.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -113.39 125.73 54.57 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.493 0.317 . . . . 74.409999999999997 110.184 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.63 114.6 10.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.822 -0.436 . . . . 71.230000000000004 109.822 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.3 m -103.76 172.41 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.953 -0.567 . . . . 70.319999999999993 110.703 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 44.7 tt0 -126.43 105.88 24.21 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 74.129999999999995 109.675 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.673 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 10.5 Cg_endo -88.47 111.19 0.63 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.251 2.634 . . . . 53.100000000000001 112.403 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -121.29 159.25 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.941 -0.572 . . . . 60.530000000000001 110.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.452 ' NH2' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -60.77 131.82 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.097 -0.334 . . . . 73.450000000000003 110.097 177.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.527 ' HA ' ' C2 ' ' B' ' 3' ' ' ' A' . . . -76.05 141.7 42.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.37 0.605 . . . . 63.350000000000001 111.704 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.35 117.05 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.4 -0.818 . . . . 74.450000000000003 109.566 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.8 t -47.25 141.39 4.62 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.338 0.399 . . . . 75.120000000000005 111.431 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -59.31 -24.36 63.23 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.268 0.556 . . . . 53.030000000000001 110.289 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -70.83 -32.0 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.56 -0.745 . . . . 65.120000000000005 110.135 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.68 -36.5 25.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.149 -0.932 . . . . 64.349999999999994 110.656 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 p -72.98 136.59 45.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.445 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -74.35 -47.95 31.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.397 -0.365 . . . . 73.310000000000002 110.813 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.769 -0.634 . . . . 74.400000000000006 110.195 177.249 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.99 " H5'" ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O5'-C5'-C4' 111.665 1.046 . 0.0 '__' . 73.109999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.954 " H5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C4'-C3'-C2' 104.439 1.739 . 0.0 OUTLIER gamma 65.310000000000002 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.846 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C4'-C3' 104.124 -0.983 . 0.0 OUTLIER . 73.150000000000006 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.846 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.421 -1.176 1 C1'-O4'-C4' 104.65 -5.501 OUTLIER-DELTA 0.0 OUTLIER delta 73.540000000000006 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.946 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 105.434 2.734 OUTLIER-DELTA 0.0 OUTLIER delta-1 74.219999999999999 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.946 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 105.327 2.627 . 0.0 OUTLIER delta-1 73.120000000000005 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.782 ' C5 ' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 103.458 -1.458 . 0.0 OUTLIER gamma 72.019999999999996 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.947 0.403 . . . . 62.140000000000001 110.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -129.68 -174.95 3.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.067 -0.716 . . . . 62.25 109.067 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.833 ' HA ' HG22 ' A' ' 41' ' ' THR . 57.6 mttp -73.66 110.22 7.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 72.030000000000001 110.52 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.0 m 70.87 98.08 0.07 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 114.732 -1.122 . . . . 53.119999999999997 111.231 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' HG2' ' CB ' ' A' ' 63' ' ' ALA . 50.8 mm-40 -71.47 97.07 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.752 -0.833 . . . . 51.420000000000002 108.752 174.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m 65.11 104.96 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 123.8 0.687 . . . . 73.420000000000002 109.688 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -44.64 107.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.573 2.849 . . . . 71.239999999999995 112.763 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 28.2 ttmt -101.86 -23.92 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.654 -0.703 . . . . 72.140000000000001 110.338 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.673 ' HB3' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER 97.49 -84.38 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 125.164 1.386 . . . . 73.120000000000005 112.596 173.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.673 ' CD ' ' HB3' ' A' ' 9' ' ' GLU . 18.6 Cg_endo -56.57 121.24 9.69 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.808 1.672 . . . . 73.439999999999998 113.174 -169.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -19.89 42.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 109.857 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 30.7 tt0 -56.6 -57.56 11.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.047 -0.524 . . . . 63.039999999999999 111.633 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 13' ' ' LEU . 3.7 pp -74.1 -10.88 60.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.101 0.477 . . . . 70.140000000000001 110.836 -173.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -102.78 -6.57 22.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.96 -0.563 . . . . 74.510000000000005 110.537 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.2 ttmm -95.39 130.4 42.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.52 0.676 . . . . 72.040000000000006 110.888 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HB2' HG23 ' A' ' 60' ' ' VAL . 6.2 mt -97.19 131.06 44.29 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.094 -0.957 . . . . 64.099999999999994 110.478 174.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 14.7 t80 -90.53 115.27 27.54 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.044 -0.724 . . . . 73.209999999999994 109.044 175.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 mm -107.24 97.45 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.829 0.347 . . . . 64.120000000000005 110.31 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.58 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -105.95 143.98 15.77 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.139 -1.029 . . . . 52.420000000000002 112.425 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.04 47.58 5.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 74.409999999999997 112.761 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 2.7 pp -109.43 170.52 8.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.732 0.266 . . . . 73.120000000000005 110.318 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.6 p -73.03 164.93 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.204 0.526 . . . . 43.200000000000003 111.238 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.91 3.35 34.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.28 0.562 . . . . 75.319999999999993 109.969 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' HB2' ' OD1' ' A' ' 80' ' ' ASP . 22.1 mt-10 -104.08 -9.02 19.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.595 -0.73 . . . . 74.430000000000007 109.048 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.3 m -65.08 99.63 0.38 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.546 -0.752 . . . . 73.030000000000001 110.751 176.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 t -94.68 157.35 16.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.874 -0.603 . . . . 72.319999999999993 109.601 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 6.7 m-20 -50.9 -42.59 59.42 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.628 0.58 . . . . 71.540000000000006 111.542 -174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.34 -40.39 93.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 74.349999999999994 111.252 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.557 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 34.6 m -71.17 -38.72 72.15 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.443 -0.577 . . . . 64.400000000000006 109.443 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 45' ' ' VAL . 2.9 tm? -61.46 -49.12 78.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.282 -0.872 . . . . 61.219999999999999 109.878 -176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 6.5 ptm180 -64.65 -40.43 95.44 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 120.588 -0.445 . . . . 71.329999999999998 110.284 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -59.59 -38.39 81.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.77 0.319 . . . . 72.340000000000003 111.507 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' HD2' ' O ' ' A' ' 29' ' ' SER . 66.6 m-70 -78.45 -20.47 50.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.629 -0.26 . . . . 75.120000000000005 111.592 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.1 m-85 -103.2 -20.46 14.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.37 0.507 . . . . 71.219999999999999 112.37 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 81.2 mt-10 -75.99 13.42 0.87 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.066 0.46 . . . . 75.230000000000004 110.989 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -90.79 -25.34 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.99 -0.55 . . . . 70.129999999999995 111.106 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.547 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.0 m-90 -112.84 13.33 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 72.340000000000003 110.274 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 167.77 -166.03 39.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.528 -0.844 . . . . 61.119999999999997 112.952 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 53.8 m -115.87 120.95 40.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.472 0.309 . . . . 61.350000000000001 110.355 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.667 HD22 ' HB ' ' A' ' 60' ' ' VAL . 31.0 mt -90.71 106.52 18.57 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.391 -0.524 . . . . 74.140000000000001 110.736 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.833 HG22 ' HA ' ' A' ' 3' ' ' LYS . 59.6 p -75.29 -28.48 59.76 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 73.319999999999993 109.347 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 19.9 t70 -139.91 98.99 3.58 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.762 -1.108 . . . . 73.219999999999999 110.275 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.08 132.98 55.21 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.7 -0.481 . . . . 74.420000000000002 109.7 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.547 HG21 " H1'" ' B' ' 5' ' ' ' G' . 7.3 p -162.81 129.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.296 0.569 . . . . 74.450000000000003 111.382 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.492 HG22 ' HG ' ' A' ' 30' ' ' LEU . 54.1 t -92.72 131.78 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.487 -0.931 . . . . 72.019999999999996 108.487 173.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.478 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 21.0 mmt -68.07 123.98 22.16 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 121.792 0.806 . . . . 73.25 110.115 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -127.24 148.97 50.2 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.329 -1.305 . . . . 74.439999999999998 109.307 -173.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.31 138.66 74.34 Favored Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 123.711 0.632 . . . . 61.409999999999997 110.848 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.24 -13.88 36.76 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.472 2.115 . . . . 74.230000000000004 112.828 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -105.38 -54.72 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.151 0.501 . . . . 74.540000000000006 109.837 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -84.42 -27.59 27.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.662 -0.699 . . . . 71.150000000000006 111.104 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm 64.76 28.26 12.95 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.819 -0.628 . . . . 74.019999999999996 110.931 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.67 156.12 17.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 64.040000000000006 109.95 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 m -63.83 133.01 52.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.132 0.491 . . . . 72.329999999999998 111.288 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -84.0 -17.36 40.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 71.239999999999995 112.332 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.51 10.89 18.68 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.056 -1.068 . . . . 73.030000000000001 112.48 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.72 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 7.1 p90 -162.06 161.29 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.138 -0.319 . . . . 74.209999999999994 110.138 176.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 45' ' ' VAL . . . -162.26 -167.71 23.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.946 -0.645 . . . . 64.549999999999997 112.764 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -134.95 156.8 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 74.140000000000001 111.28 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -147.98 109.95 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-N 115.723 -0.671 . . . . 73.310000000000002 111.142 178.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 6.0 m -93.93 115.33 27.69 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.768 -0.651 . . . . 74.129999999999995 109.34 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.46 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.6 m-85 -82.61 171.56 13.92 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.268 -0.423 . . . . 74.219999999999999 110.344 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' CB ' ' HG2' ' A' ' 5' ' ' GLU . . . -70.15 -26.53 63.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 54.030000000000001 109.786 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 66' ' ' GLU . 9.3 t -161.83 174.62 12.91 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 71.129999999999995 110.388 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.12 -36.36 67.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.798 0.666 . . . . 74.430000000000007 112.798 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' HG2' HG23 ' A' ' 64' ' ' THR . 2.9 pm0 -62.76 -19.61 64.15 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.901 0.334 . . . . 74.129999999999995 111.901 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.2 mt-10 -80.08 -42.83 22.88 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.765 -0.458 . . . . 74.439999999999998 109.765 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.434 HG13 ' HG ' ' A' ' 16' ' ' LEU . 26.4 t -56.54 -45.35 82.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 72.239999999999995 110.123 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.55 -45.19 73.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.313 -0.858 . . . . 61.140000000000001 110.931 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.42 87.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.278 -0.419 . . . . 51.520000000000003 110.942 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.11 69.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.294 -0.412 . . . . 73.129999999999995 110.602 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 40.1 mtt -72.32 -36.64 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.299 -0.409 . . . . 70.420000000000002 110.039 176.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.67 -9.26 57.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.068 -0.515 . . . . 72.510000000000005 110.526 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -1.33 57.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.849 -0.614 . . . . 71.239999999999995 110.608 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.662 ' HG3' ' HA ' ' A' ' 76' ' ' PRO . 43.5 ttp180 -74.03 139.92 76.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.986 -0.552 . . . . 72.329999999999998 110.092 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.662 ' HA ' ' HG3' ' A' ' 75' ' ' ARG . 52.7 Cg_endo -68.55 123.86 6.49 Favored 'Cis proline' 0 C--N 1.344 0.341 0 C-N-CA 123.477 -1.468 . . . . 63.210000000000001 112.896 2.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.534 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 23.9 t-80 -75.45 161.15 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 75.310000000000002 109.739 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -143.44 111.94 6.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.417 -0.356 . . . . 72.530000000000001 110.044 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -136.81 128.95 44.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.998 -0.546 . . . . 61.210000000000001 110.337 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' OD1' ' HB2' ' A' ' 24' ' ' GLU . 8.2 t70 64.07 19.82 11.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.558 -0.746 . . . . 60.530000000000001 110.711 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.66 15.52 73.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.849 -0.691 . . . . 62.399999999999999 112.176 -177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 19.8 tpt180 -119.79 132.71 55.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 73.329999999999998 110.506 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.1 t -77.16 122.28 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 64.010000000000005 109.861 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 21' ' ' LEU . 34.3 m -120.36 164.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.103 0.477 . . . . 74.319999999999993 111.626 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -117.84 107.74 43.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.481 -0.781 . . . . 60.240000000000002 109.884 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -91.04 115.72 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.185 2.59 . . . . 54.539999999999999 112.309 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 18.5 ptpt -121.62 160.42 24.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 53.140000000000001 110.728 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 119.41 7.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.54 -0.541 . . . . 74.430000000000007 109.54 176.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.624 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -74.26 130.64 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.124 0.488 . . . . 62.530000000000001 111.073 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.0 150.03 5.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.962 -0.563 . . . . 73.319999999999993 109.865 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.626 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 30.6 t -52.52 130.0 30.56 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.823 -0.436 . . . . 73.010000000000005 109.823 174.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.577 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -64.06 -29.67 70.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.141 -0.689 . . . . 75.230000000000004 109.141 177.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -66.73 -36.01 81.47 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.798 -0.637 . . . . 72.25 110.112 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 10.8 t70 -61.75 -49.55 75.94 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.922 -0.581 . . . . 73.420000000000002 110.085 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -68.86 -24.3 64.33 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.292 -0.867 . . . . 72.219999999999999 110.294 -174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 92' ' ' ARG . 16.3 mm100 -72.1 -42.96 65.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.788 -0.642 . . . . 73.400000000000006 110.378 174.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 . . . . . 0 C--O 1.248 1.012 0 O-C-N 124.399 1.062 . . . . 72.129999999999995 110.604 -179.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.821 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.532 0.681 0 C4'-C3'-C2' 105.537 2.837 OUTLIER-DELTA 0.0 '__' . 74.150000000000006 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.821 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.014 0 C3'-C2'-C1' 100.705 -0.883 . 0.0 OUTLIER zeta-1 75.519999999999996 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.792 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 C3'-C2'-C1' 98.86 -2.933 . 0.0 OUTLIER gamma 75.230000000000004 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.792 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 98.648 -3.169 . 0.0 OUTLIER gamma 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 1.01 " H3'" " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-C2' 108.025 1.16 . 0.0 OUTLIER gamma 73.439999999999998 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.01 " H5'" " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 107.428 0.734 . 0.0 OUTLIER . 73.040000000000006 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.882 " H3'" " O3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-C2' 107.811 1.008 . 0.0 OUTLIER . 75.340000000000003 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 120.714 0.292 . . . . 44.119999999999997 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -88.21 -37.58 15.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.768 -0.827 . . . . 72.239999999999995 108.768 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -159.12 0.92 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.251 -0.886 . . . . 74.200000000000003 108.736 173.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 m -68.64 95.98 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.671 -0.492 . . . . 71.219999999999999 109.671 173.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -149.58 26.69 0.83 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 52.149999999999999 110.407 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -74.19 122.59 87.89 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 42.450000000000003 110.308 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.63 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.77 2.313 . . . . 73.549999999999997 111.874 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 11.6 mptt -102.37 43.0 1.1 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.351 -0.386 . . . . 75.0 111.49 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -95.71 102.02 9.31 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.184 -0.673 . . . . 53.329999999999998 109.184 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 76.9 Cg_exo -49.21 137.38 30.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.065 2.51 . . . . 73.430000000000007 112.578 -174.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.591 ' HG2' ' HE2' ' A' ' 15' ' ' LYS . 45.0 tt0 -63.1 -40.1 96.64 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 120.781 -0.368 . . . . 63.149999999999999 110.563 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -60.34 -30.97 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.29 0.567 . . . . 73.430000000000007 110.255 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 10' ' ' PRO . 14.7 tp -69.32 -41.04 77.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.592 -0.731 . . . . 74.519999999999996 110.488 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -90.97 -5.0 56.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.212 -0.904 . . . . 72.099999999999994 111.161 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.6 ttmm -96.49 131.99 42.51 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.014 -0.539 . . . . 71.129999999999995 109.871 -177.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -100.1 128.48 46.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.418 -0.81 . . . . 72.209999999999994 109.953 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 26.7 t80 -85.9 117.73 24.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.168 -0.679 . . . . 73.219999999999999 109.168 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 9.7 mm -107.95 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.61 -0.268 . . . . 74.25 110.337 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.32 140.43 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.946 -0.861 . . . . 64.420000000000002 110.946 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 112.53 1.77 26.02 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.344 -0.931 . . . . 61.32 112.749 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.4 pp -82.46 163.03 21.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 73.209999999999994 111.114 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.7 p -77.83 177.71 7.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 74.109999999999999 111.304 -172.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.694 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 40.3 m-85 -85.76 2.66 44.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.323 0.582 . . . . 74.329999999999998 109.837 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.81 -9.53 18.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.401 -0.818 . . . . 65.140000000000001 109.862 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.683 ' HB ' HD13 ' A' ' 21' ' ' LEU . 37.2 m -71.85 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.438 -0.801 . . . . 71.040000000000006 111.032 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 29' ' ' SER . 3.0 t -84.88 161.9 19.69 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 74.540000000000006 110.311 176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' HA ' HG23 ' A' ' 45' ' ' VAL . 9.3 p-10 -59.01 -42.97 91.4 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.037 0.446 . . . . 62.409999999999997 111.252 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.19 -42.21 98.17 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.513 -0.767 . . . . 72.420000000000002 111.383 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.543 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 32.6 t -70.08 -39.13 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.251 -0.648 . . . . 63.43 109.251 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 25' ' ' THR . 2.4 tm? -63.59 -44.06 95.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 74.319999999999993 109.525 -176.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 20.3 ptt85 -67.27 -39.13 86.03 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 120.766 -0.374 . . . . 70.430000000000007 110.127 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 t -60.66 -34.89 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 72.010000000000005 110.927 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.543 ' HD2' ' O ' ' A' ' 29' ' ' SER . 62.3 m-70 -81.17 -28.31 35.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.603 -0.271 . . . . 65.450000000000003 111.523 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 40.4 m-85 -95.54 -15.89 22.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.495 0.554 . . . . 73.219999999999999 112.495 -177.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 64.9 mt-10 -80.4 10.43 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 75.140000000000001 110.673 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -82.84 -36.23 25.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.618 -0.719 . . . . 71.219999999999999 111.028 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -106.0 1.73 26.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.696 0.284 . . . . 73.340000000000003 110.968 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.6 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -179.2 174.13 46.12 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.019 -1.086 . . . . 53.229999999999997 113.24 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 66.3 m -93.69 126.63 38.97 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.571 0.348 . . . . 71.230000000000004 110.74 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.823 HD22 ' HB ' ' A' ' 60' ' ' VAL . 25.8 mt -98.07 111.02 23.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 73.030000000000001 110.27 175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -83.12 -21.96 33.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.426 0.631 . . . . 65.510000000000005 109.984 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 31.5 t70 -141.23 102.7 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.382 -0.826 . . . . 53.130000000000003 110.328 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.3 p -112.59 128.71 56.44 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.388 -0.369 . . . . 65.239999999999995 110.017 176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG21 ' C4 ' ' B' ' 5' ' ' ' G' . 5.4 p -150.77 131.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.288 0.566 . . . . 72.150000000000006 110.968 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 27' ' ' ASP . 54.4 t -115.69 135.53 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.999 -0.546 . . . . 73.439999999999998 109.761 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.736 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 21.6 mmt -78.18 135.86 37.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.972 -0.558 . . . . 74.219999999999999 110.172 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.55 156.12 41.33 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.462 -0.57 . . . . 75.25 109.462 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 9.5 t70 -64.91 137.74 97.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.894 -0.593 . . . . 74.25 109.576 176.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.2 -14.44 40.55 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.374 2.049 . . . . 72.239999999999995 112.58 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -107.97 -48.91 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.4 -0.364 . . . . 74.409999999999997 110.311 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 17.9 p -85.44 -30.39 23.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 72.409999999999997 110.94 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 68.31 22.53 8.01 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.677 -0.692 . . . . 72.109999999999999 110.955 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -100.0 157.38 16.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.642 -0.708 . . . . 63.149999999999999 109.219 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.694 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 13.4 m -56.6 143.12 37.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.406 0.441 . . . . 61.25 111.613 -175.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -87.36 8.04 26.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 62.43 111.834 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.736 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 88.45 5.92 74.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.564 -0.826 . . . . 53.43 112.59 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.756 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 11.4 p90 -158.46 161.37 37.43 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.991 0.424 . . . . 72.109999999999999 111.312 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.58 -178.98 31.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.512 -0.767 . . . . 72.030000000000001 111.455 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.52 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 98.4 m-85 -134.47 148.74 50.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.036 0.446 . . . . 75.439999999999998 111.18 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.823 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -143.96 111.49 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.42 -0.809 . . . . 73.099999999999994 111.104 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.1 m -90.75 115.4 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 74.5 109.343 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 65.1 m-85 -81.78 164.06 21.95 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.062 0.458 . . . . 75.129999999999995 110.736 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.682 -0.69 . . . . 74.319999999999993 110.801 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.543 HG23 ' HG2' ' A' ' 67' ' ' GLU . 3.0 t -160.07 163.21 34.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.417 -0.811 . . . . 74.439999999999998 109.834 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.59 -28.44 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 60.100000000000001 111.259 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.72 -34.29 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 74.439999999999998 111.108 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.0 mm-40 -68.97 -39.11 79.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.815 -0.629 . . . . 51.149999999999999 109.834 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.601 HG13 HD13 ' A' ' 16' ' ' LEU . 36.3 t -60.64 -44.72 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.158 -0.928 . . . . 61.350000000000001 111.196 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.52 -46.06 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.406 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.551 -0.295 . . . . 74.120000000000005 111.08 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.83 89.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.18 -0.464 . . . . 55.119999999999997 111.034 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 48.1 mtt -66.97 -37.04 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.363 -0.381 . . . . 72.439999999999998 110.676 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 84.2 m-20 -69.15 -17.02 63.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 75.200000000000003 110.898 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.33 23.98 1.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 71.299999999999997 111.346 -176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -72.35 146.65 89.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 71.120000000000005 110.224 178.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.52 130.37 18.21 Favored 'Cis proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.694 -1.378 . . . . 62.149999999999999 111.425 -2.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -67.9 151.46 47.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.036 -0.529 . . . . 74.450000000000003 110.364 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -141.2 103.52 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 110.367 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 130.46 71.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.976 -0.556 . . . . 75.430000000000007 109.906 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 61.35 28.24 17.73 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.699 0.762 . . . . 73.299999999999997 109.859 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.99 17.81 72.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 73.140000000000001 111.905 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -114.71 135.83 53.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.232 -0.284 . . . . 61.509999999999998 110.232 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.35 121.27 36.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.931 -0.396 . . . . 75.219999999999999 109.931 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -117.52 170.27 7.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 74.409999999999997 111.009 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HB2' ' H3 ' ' B' ' 2' ' ' ' U' . 37.1 mt-10 -118.65 107.82 42.14 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.941 -0.572 . . . . 75.25 109.804 174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.52 ' HB2' HD21 ' A' ' 16' ' ' LEU . 18.8 Cg_endo -89.55 106.14 0.39 Allowed 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 123.064 2.509 . . . . 72.430000000000007 111.826 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -118.85 167.6 11.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.879 -175.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -64.32 141.69 58.68 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.997 -0.372 . . . . 75.209999999999994 109.997 177.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.798 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -88.07 143.3 27.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.178 0.513 . . . . 70.299999999999997 111.702 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 91' ' ' SER . 14.7 p -95.97 164.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.028 -0.73 . . . . 73.540000000000006 109.028 174.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.797 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 14.9 m -52.86 129.86 31.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.153 -0.314 . . . . 74.319999999999993 110.153 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.528 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 6.8 ptp180 -65.97 -30.66 71.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.169 0.509 . . . . 73.129999999999995 109.663 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 -30.26 67.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 54.399999999999999 110.14 177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.797 ' HB2' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -64.36 -37.3 87.03 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.545 -0.752 . . . . 64.439999999999998 110.354 -178.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.473 ' HB2' ' H21' ' B' ' 4' ' ' ' G' . 33.3 m -98.88 5.26 47.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 64.430000000000007 111.509 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -109.24 -2.76 17.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.51 -0.313 . . . . 75.25 110.729 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HD2' ' OXT' ' A' ' 97' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.753 -0.642 . . . . 60.140000000000001 109.892 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.835 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.559 0 O4'-C4'-C3' 103.914 -1.133 . 0.0 '__' . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.835 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C3'-C2'-C1' 100.309 -1.323 . 0.0 OUTLIER . 75.420000000000002 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.798 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 98.675 -3.139 . 0.0 OUTLIER . 75.319999999999993 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.903 " H4'" ' OP1' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 C1'-O4'-C4' 106.299 -3.667 OUTLIER-EPSILON 0.0 OUTLIER alpha 75.129999999999995 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 1.045 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 C3'-C2'-C1' 100.415 -1.206 . 0.0 OUTLIER epsilon-1 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.045 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 108.051 1.179 . 0.0 OUTLIER gamma 75.129999999999995 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.739 " H4'" ' OP2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C4'-C3'-C2' 103.374 0.674 . 0.0 OUTLIER . 71.230000000000004 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.81 0.338 . . . . 75.430000000000007 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -107.9 -26.39 10.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.322 0.582 . . . . 43.240000000000002 109.853 175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -121.61 92.39 3.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.368 -0.833 . . . . 71.349999999999994 109.658 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -130.7 9.9 5.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.792 -0.64 . . . . 73.140000000000001 110.193 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -81.26 172.26 13.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 72.420000000000002 111.12 -176.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 54.0 m -147.38 110.09 3.93 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.333 -0.394 . . . . 74.200000000000003 110.383 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 6' ' ' SER . 31.1 Cg_endo -63.82 151.94 82.89 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.854 2.369 . . . . 74.319999999999993 112.465 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.08 -89.36 0.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 73.430000000000007 109.944 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 42.4 tt0 -165.78 -61.24 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 119.453 -0.308 . . . . 74.420000000000002 110.711 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 9' ' ' GLU . 9.8 Cg_endo -52.31 117.08 3.27 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.436 2.091 . . . . 71.109999999999999 112.948 -176.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.199 -0.91 . . . . 73.040000000000006 110.9 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.15 -28.76 69.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.031 0.443 . . . . 70.219999999999999 110.968 -175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD23 ' HG2' ' A' ' 10' ' ' PRO . 15.1 tp -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.49 0.662 . . . . 62.100000000000001 110.186 175.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -85.39 -6.29 59.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.904 -1.044 . . . . 61.009999999999998 110.618 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 20.8 ttmm -99.63 134.92 41.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.465 0.65 . . . . 73.040000000000006 110.62 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' HB2' HG23 ' A' ' 60' ' ' VAL . 7.5 mt -99.71 134.18 42.98 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.081 -0.963 . . . . 73.129999999999995 110.863 177.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -93.71 111.83 23.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.868 -0.79 . . . . 62.450000000000003 108.868 173.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 16' ' ' LEU . 13.1 mm -105.88 98.38 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.368 -0.378 . . . . 73.510000000000005 110.164 -175.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.539 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -109.77 144.17 16.74 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.02 -1.086 . . . . 65.239999999999995 112.177 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.89 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 86.73 43.73 5.99 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.761 -0.733 . . . . 64.200000000000003 112.584 176.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD13 ' HB ' ' A' ' 25' ' ' THR . 1.7 pp -105.7 165.2 11.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.793 0.33 . . . . 74.5 111.129 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.3 t -59.93 149.96 30.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 73.019999999999996 110.945 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -70.13 -12.02 61.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.155 0.502 . . . . 64.400000000000006 110.378 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.55 -7.73 49.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.329 0.585 . . . . 72.310000000000002 109.903 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.671 ' HB ' HD13 ' A' ' 21' ' ' LEU . 87.1 m -75.41 96.17 3.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.452 -0.795 . . . . 73.510000000000005 110.857 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.444 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.6 t -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.607 -0.724 . . . . 64.129999999999995 109.443 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.8 p-10 -52.3 -45.66 65.62 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 122.88 0.472 . . . . 42.439999999999998 111.985 -171.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.5 pt-20 -63.99 -34.69 78.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.798 -0.637 . . . . 72.030000000000001 111.701 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.2 t -79.5 -35.97 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.729 -0.841 . . . . 73.239999999999995 108.729 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD23 HG21 ' A' ' 25' ' ' THR . 2.9 tm? -64.96 -43.07 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.854 -1.067 . . . . 72.150000000000006 109.551 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.8 ptm180 -66.71 -42.2 86.74 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.739 -0.384 . . . . 74.329999999999998 109.995 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.92 -27.12 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.519999999999996 111.329 -176.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -79.48 -48.38 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.375 . . . . 73.530000000000001 110.678 173.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 40' ' ' LEU . 29.1 m-85 -75.94 -18.81 59.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.369 0.507 . . . . 72.420000000000002 112.369 -174.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.3 mt-10 -75.74 11.88 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.965 0.412 . . . . 70.510000000000005 111.084 177.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 43.7 mt-30 -85.47 -30.19 23.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.182 -0.463 . . . . 74.109999999999999 111.101 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 22.0 m-90 -108.33 14.29 24.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 75.010000000000005 110.273 -177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 163.79 -159.97 32.73 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.608 -0.806 . . . . 74.049999999999997 112.543 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 m -122.85 124.77 44.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.652 0.263 . . . . 63.520000000000003 110.662 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 60' ' ' VAL . 26.1 mt -91.43 104.3 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 70.0 110.431 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.9 p -71.8 -23.2 61.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.833 0.825 . . . . 51.439999999999998 109.393 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.613 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 24.7 t70 -142.24 125.07 16.03 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.739 -1.118 . . . . 52.049999999999997 109.44 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.4 p -144.22 131.29 20.53 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 120.992 0.425 . . . . 71.140000000000001 110.371 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 10.8 p -164.55 138.66 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 72.140000000000001 110.857 -176.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 27' ' ' ASP . 34.0 m -108.43 151.28 10.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.762 -0.829 . . . . 75.030000000000001 108.762 172.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.485 ' HE1' ' C8 ' ' B' ' 5' ' ' ' G' . 22.5 mmt -82.83 141.7 32.09 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.114 -0.699 . . . . 64.319999999999993 109.114 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -109.14 157.34 18.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.786 -0.45 . . . . 72.129999999999995 109.786 -177.06 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 20.7 t70 -62.32 139.45 96.39 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.59 -0.522 . . . . 73.420000000000002 109.59 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.28 -16.09 47.47 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.317 2.011 . . . . 71.109999999999999 112.082 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.96 -60.21 1.64 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 109.895 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 16.2 p -76.31 -30.28 57.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 60.439999999999998 111.19 -175.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? 65.22 26.77 12.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.901 -0.591 . . . . 74.129999999999995 110.431 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.575 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 9.9 mpt_? -95.58 -76.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 75.230000000000004 110.908 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -149.43 149.27 30.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.983 0.42 . . . . 72.019999999999996 111.583 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 9.2 mmt180 -101.91 -8.21 21.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.65 -0.704 . . . . 72.109999999999999 110.971 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.672 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 90.61 18.17 49.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.694 -0.765 . . . . 74.540000000000006 112.519 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.771 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 22.0 p90 -170.85 161.94 7.34 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 110.41 -0.218 . . . . 73.340000000000003 110.41 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.36 -171.64 25.45 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.078 -0.582 . . . . 72.109999999999999 112.69 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -133.46 153.66 51.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 75.129999999999995 110.806 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -149.18 112.35 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.6 . . . . 61.530000000000001 111.662 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.0 m -98.48 116.0 29.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.588 -0.733 . . . . 71.329999999999998 109.477 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HE2' HD12 ' A' ' 16' ' ' LEU . 47.3 m-85 -80.24 176.49 9.72 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.126 0.489 . . . . 73.540000000000006 111.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.39 -32.3 64.39 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.769 -0.65 . . . . 42.310000000000002 109.791 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 5.6 t -148.94 163.88 36.17 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.579 -0.737 . . . . 70.519999999999996 110.733 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.758 HG23 HH21 ' A' ' 88' ' ' ARG . 2.7 p -59.75 -32.03 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.204 -0.907 . . . . 73.5 111.528 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.89 -38.68 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 75.519999999999996 111.542 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 64' ' ' THR . 27.3 mt-10 -72.16 -36.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 73.439999999999998 110.686 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 72' ' ' MET . 21.0 t -59.02 -46.29 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.023 -0.535 . . . . 42.530000000000001 110.549 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.44 -41.26 96.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.83 -0.623 . . . . 74.519999999999996 110.932 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.53 87.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.726 0.298 . . . . 32.130000000000003 110.789 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.49 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.115 0.483 . . . . 74.439999999999998 110.449 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.0 mtt -70.13 -38.5 75.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 65.120000000000005 110.482 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -69.33 -16.13 63.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.37 . . . . 65.140000000000001 110.857 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.19 -2.17 47.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 75.0 110.941 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 73.5 ttt180 -67.72 141.61 95.15 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-N 116.072 -0.513 . . . . 63.439999999999998 109.912 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 2.8 Cg_exo -71.93 117.47 3.79 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.903 -1.29 . . . . 72.140000000000001 112.52 4.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.64 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 25.0 t-80 -75.21 133.06 41.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.206 -0.906 . . . . 73.120000000000005 110.142 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -117.85 110.27 17.57 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.655 0.264 . . . . 72.400000000000006 110.359 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.78 124.39 72.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.673 -0.24 . . . . 54.520000000000003 110.805 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 67.82 -58.31 0.44 Allowed 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.254 0.971 . . . . 71.200000000000003 111.179 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.84 33.62 0.03 OUTLIER Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.714 -1.355 . . . . 53.299999999999997 109.714 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -148.53 121.83 9.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.483 -0.859 . . . . 74.319999999999993 109.34 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.64 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 1.3 p -78.27 119.43 27.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.523 0.678 . . . . 62.340000000000003 110.586 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 21' ' ' LEU . 24.6 m -99.95 -178.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.972 -1.013 . . . . 73.519999999999996 111.554 -171.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -127.63 104.11 21.64 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.382 -0.826 . . . . 60.149999999999999 109.443 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -90.55 106.27 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.026 2.484 . . . . 75.310000000000002 112.459 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -113.98 165.47 12.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.629 . . . . 45.109999999999999 110.537 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.758 HH21 HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -67.51 139.95 57.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.547 -0.297 . . . . 71.299999999999997 110.333 176.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.59 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -75.74 150.18 37.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.35 0.595 . . . . 73.439999999999998 111.032 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG12 ' C2 ' ' B' ' 3' ' ' ' A' . 12.8 p -114.36 162.04 12.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.339 -0.846 . . . . 74.120000000000005 108.952 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -56.57 132.12 50.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.116 0.484 . . . . 73.230000000000004 111.257 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.636 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -70.37 -6.35 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.629 -0.714 . . . . 74.109999999999999 110.585 175.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -88.31 -41.33 12.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.762 -0.653 . . . . 74.219999999999999 110.301 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.21 -46.72 55.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.764 -0.653 . . . . 71.549999999999997 110.423 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.537 ' HB2' ' H22' ' B' ' 4' ' ' ' G' . 20.5 m -101.47 102.5 13.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.01 -0.541 . . . . 64.129999999999995 110.744 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 48.2 mt-30 -115.81 -51.09 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.5 . . . . 52.299999999999997 110.073 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.697 -0.668 . . . . 75.329999999999998 109.649 176.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.89 H5'' ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 108.002 1.144 . 0.0 '__' . 73.420000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.695 H5'' ' CD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C4'-C3'-C2' 104.754 2.054 . 0.0 OUTLIER gamma 74.129999999999995 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.771 " H5'" ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 98.507 -3.325 . 0.09 0b . 75.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.714 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C4'-C3'-C2' 104.439 1.739 . 0.0 OUTLIER gamma 74.019999999999996 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.775 ' C8 ' ' H5 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C4'-C3'-C2' 104.822 2.122 . 0.0 OUTLIER '7D dist 6n' 74.510000000000005 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.082 " H1'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C4'-C3'-C2' 103.707 1.007 . 0.01 5q . 75.319999999999993 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 1.082 " H3'" " H1'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-C2' 107.86 1.043 . 0.0 OUTLIER . 74.530000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.224 -0.287 . . . . 75.140000000000001 110.224 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -89.36 -41.07 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.102 0.477 . . . . 62.109999999999999 109.796 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -123.6 141.9 51.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 73.310000000000002 109.575 176.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.8 m -149.34 90.15 1.71 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.009 0.433 . . . . 71.219999999999999 110.91 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.72 -43.51 79.82 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.667 -0.864 . . . . 64.150000000000006 108.667 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -104.08 105.42 48.68 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.12 -1.067 . . . . 74.329999999999998 108.12 169.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.87 84.91 0.24 Allowed 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.736 2.29 . . . . 61.030000000000001 113.665 -172.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -84.54 81.4 8.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.398 1.094 . . . . 61.009999999999998 108.984 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -121.86 156.63 59.05 Favored Pre-proline 0 C--N 1.312 -1.051 0 CA-C-N 113.894 -1.503 . . . . 65.129999999999995 107.05 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.27 99.24 0.04 OUTLIER 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.343 2.028 . . . . 51.32 112.609 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.0 -10.3 52.5 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.911 0.862 . . . . 73.219999999999999 109.205 177.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.3 -51.1 71.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.56 -1.2 . . . . 71.430000000000007 110.66 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.92 -14.65 44.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.734 0.302 . . . . 72.430000000000007 111.159 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -93.81 -4.31 50.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 73.209999999999994 110.683 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 3.0 ttmp? -97.7 130.76 44.66 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.876 -0.602 . . . . 64.409999999999997 110.406 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 6.1 mt -98.43 130.79 45.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.499 -0.773 . . . . 64.299999999999997 110.371 174.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.526 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 17.4 t80 -90.33 110.14 21.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.793 -0.639 . . . . 74.219999999999999 109.315 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.441 HG22 HD23 ' A' ' 21' ' ' LEU . 15.8 mm -105.81 102.27 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-O 120.963 0.411 . . . . 71.530000000000001 110.373 -176.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.7 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -113.52 149.2 18.65 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.165 -1.017 . . . . 43.030000000000001 112.248 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.33 32.78 24.59 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.811 -0.709 . . . . 61.43 112.596 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.662 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.5 pp -96.46 168.11 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.116 0.484 . . . . 72.340000000000003 111.649 -178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.427 ' HB3' ' OG1' ' A' ' 25' ' ' THR . 30.9 t -60.73 145.04 50.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.323 -0.853 . . . . 61.520000000000003 110.727 -178.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.26 -5.33 38.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.097 0.475 . . . . 75.319999999999993 110.341 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -103.24 3.9 36.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.635 -0.711 . . . . 75.150000000000006 109.477 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.662 ' HB ' HD13 ' A' ' 21' ' ' LEU . 88.5 m -84.95 101.09 12.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.08 -0.963 . . . . 64.310000000000002 110.136 172.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' HG21 ' A' ' 45' ' ' VAL . 14.2 t -107.76 -172.46 2.07 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.734 -0.469 . . . . 62.049999999999997 109.734 176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -45.11 -58.36 3.28 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 123.411 0.684 . . . . 74.310000000000002 112.225 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.55 -40.15 96.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.06 -0.518 . . . . 53.329999999999998 110.99 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -65.59 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.196 0.522 . . . . 72.150000000000006 109.884 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 45' ' ' VAL . 29.3 tp -76.95 -48.52 17.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.627 -0.715 . . . . 74.530000000000001 110.328 -176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.0 ptp180 -63.87 -40.42 96.51 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.698 -0.401 . . . . 73.209999999999994 110.609 -174.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 m -66.07 -31.48 72.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.676 0.25 . . . . 61.25 111.676 -176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.531 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 18.6 m80 -89.85 -4.27 57.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.7 -0.4 . . . . 74.200000000000003 111.78 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -112.92 -21.38 11.16 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 53.520000000000003 111.863 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 40.2 mt-10 -73.58 11.08 0.88 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.967 0.413 . . . . 64.340000000000003 111.221 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -90.91 -18.64 24.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 75.420000000000002 110.91 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.531 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -118.83 15.51 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.216 0.531 . . . . 72.420000000000002 109.997 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 162.58 -170.5 38.17 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.139 -1.029 . . . . 43.009999999999998 113.505 177.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -107.94 123.86 49.27 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 122.761 0.424 . . . . 54.539999999999999 110.471 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 ' HG ' ' HG2' ' A' ' 35' ' ' GLU . 8.8 mt -92.36 109.04 20.42 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.066 -0.654 . . . . 73.239999999999995 110.435 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 p -78.4 -30.49 47.82 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.917 -0.583 . . . . 75.430000000000007 109.439 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 13.1 m-20 -140.12 92.4 2.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 71.400000000000006 111.12 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.4 p -109.62 137.61 47.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.709 -0.678 . . . . 65.230000000000004 109.176 175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.719 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 14.0 p -164.8 146.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.919 -0.313 . . . . 75.540000000000006 110.695 -175.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 30' ' ' LEU . 34.2 m -117.17 156.63 18.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 110.152 -0.314 . . . . 74.430000000000007 110.152 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.1 mmt -101.29 135.33 42.95 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.504 -0.554 . . . . 73.030000000000001 109.504 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.8 167.19 10.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.951 0.405 . . . . 70.430000000000007 110.134 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 15.6 t70 -73.61 139.16 77.48 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.543 -0.753 . . . . 74.400000000000006 109.306 174.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.89 -7.96 20.67 Favored 'Trans proline' 0 C--N 1.332 -0.332 0 C-N-CA 122.149 1.899 . . . . 64.010000000000005 112.844 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.45 -53.07 2.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.192 0.52 . . . . 73.430000000000007 109.855 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.9 p -85.11 -29.5 24.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.673 -0.694 . . . . 42.420000000000002 111.071 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.6 mmmt 68.12 23.46 7.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.508 -0.769 . . . . 73.540000000000006 110.968 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -99.71 162.06 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.907 -0.775 . . . . 71.25 108.907 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -53.09 132.4 38.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.072 0.463 . . . . 63.409999999999997 110.708 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -85.22 16.67 3.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.022 -0.536 . . . . 74.25 111.534 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.564 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 80.49 18.69 70.43 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 43.039999999999999 112.966 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 3.3 p90 -167.07 157.92 11.82 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.852 0.358 . . . . 62.420000000000002 110.424 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.47 -172.61 29.06 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 116.163 -0.472 . . . . 63.109999999999999 111.978 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 96.0 m-85 -132.92 151.26 52.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.563 0.696 . . . . 75.200000000000003 111.549 -177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -143.49 107.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.917 -1.038 . . . . 70.349999999999994 110.174 -178.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 11.0 m -100.44 113.76 26.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.686 -0.688 . . . . 74.120000000000005 110.064 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HE2' HD12 ' A' ' 16' ' ' LEU . 62.5 m-85 -80.28 174.22 11.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.048 -0.524 . . . . 70.439999999999998 110.753 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.91 -34.11 62.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 75.439999999999998 110.214 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 66' ' ' GLU . 3.8 t -147.38 158.37 43.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.643 -0.708 . . . . 61.399999999999999 110.234 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.24 -32.43 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.698 . . . . 64.409999999999997 112.803 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.4 pt-20 -63.31 -28.46 70.03 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.793 0.33 . . . . 70.409999999999997 111.201 -176.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 24.3 mt-10 -74.27 -40.29 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 73.239999999999995 109.896 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 16' ' ' LEU . 24.8 t -57.81 -45.28 87.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.808 -0.633 . . . . 72.140000000000001 109.742 172.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.28 -41.07 92.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.319 -0.855 . . . . 70.329999999999998 110.871 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.3 90.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 51.530000000000001 110.878 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.63 74.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 55.399999999999999 110.411 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 27.7 mtt -69.56 -33.95 73.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 110.55 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.55 -18.27 62.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.065 0.459 . . . . 72.400000000000006 110.383 175.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.25 4.93 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.879 -0.601 . . . . 71.140000000000001 111.746 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.592 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 9.1 ptm180 -80.73 155.45 73.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.923 -0.399 . . . . 71.140000000000001 109.923 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 27.9 Cg_endo -62.22 128.19 5.54 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.472 -1.47 . . . . 73.010000000000005 112.277 0.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 27.3 t-80 -78.24 156.55 29.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 72.409999999999997 110.084 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -140.0 112.34 7.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.143 -0.48 . . . . 71.409999999999997 109.931 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.46 131.01 65.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.29 -0.413 . . . . 74.310000000000002 110.359 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 32.1 t70 69.1 -57.89 0.51 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.279 0.987 . . . . 64.109999999999999 110.935 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 170.07 29.58 0.02 OUTLIER Glycine 0 C--N 1.315 -0.617 0 N-CA-C 110.561 -1.015 . . . . 74.530000000000001 110.561 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -136.36 133.26 36.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.271 -0.465 . . . . 75.010000000000005 110.259 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 65.5 t -77.01 122.25 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.628 -0.508 . . . . 71.120000000000005 109.628 174.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 21' ' ' LEU . 33.1 m -119.02 167.65 12.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.089 0.471 . . . . 75.129999999999995 111.648 -175.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.698 ' HB3' ' H3 ' ' B' ' 2' ' ' ' U' . 28.1 tt0 -117.76 106.94 45.17 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.404 -0.817 . . . . 74.040000000000006 109.488 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -92.43 106.21 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 123.122 2.548 . . . . 71.420000000000002 112.168 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 17' ' ' PHE . 9.3 ptpp? -113.14 156.99 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.434 -0.348 . . . . 73.540000000000006 110.827 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.92 126.55 27.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 73.450000000000003 109.555 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.747 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -78.69 147.99 33.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.288 0.566 . . . . 33.439999999999998 111.836 -175.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.04 135.56 28.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.375 -0.829 . . . . 54.450000000000003 109.341 175.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -56.04 139.7 45.93 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.813 -0.355 . . . . 62.530000000000001 110.078 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -63.0 -25.28 68.31 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.402 -0.592 . . . . 74.409999999999997 109.402 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -70.69 -36.73 73.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.264 -0.88 . . . . 73.299999999999997 110.125 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.04 -15.92 37.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.261 -0.881 . . . . 74.120000000000005 111.247 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.7 t -71.26 103.23 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.131 -0.486 . . . . 52.100000000000001 110.406 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.49 -65.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.561 . . . . 64.430000000000007 110.073 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.987 -0.53 . . . . 74.25 109.572 176.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.564 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O4'--C4' 1.446 -0.545 0 C3'-C2'-C1' 104.073 2.859 OUTLIER-DELTA 0.0 '__' . 74.209999999999994 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.7 ' C2 ' ' HA3' ' A' ' 19' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C4'-C3'-C2' 103.867 1.167 . 0.0 OUTLIER gamma 72.510000000000005 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.747 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 C3'-C2'-C1' 98.419 -3.423 . 0.0 OUTLIER gamma 73.109999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.623 ' O6 ' ' HB1' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.976 1 C3'-C2'-C1' 97.031 -4.966 . 0.0 OUTLIER alpha 74.439999999999998 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.719 ' C4 ' HG11 ' A' ' 44' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 102.861 -1.885 . 0.0 OUTLIER gamma 75.409999999999997 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.731 " O3'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C1'-C2' 107.559 0.828 . 0.0 OUTLIER gamma 73.040000000000006 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.731 " H3'" " O3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 108.197 1.284 . 0.0 OUTLIER . 72.409999999999997 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.426 0.155 . . . . 73.219999999999999 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -82.24 -20.77 36.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 74.209999999999994 110.891 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -69.97 150.08 47.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.993 -0.743 . . . . 62.149999999999999 108.993 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -56.19 -36.94 68.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 52.32 112.187 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -135.85 -176.71 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.119 0.485 . . . . 62.409999999999997 111.348 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.702 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 29.7 t -161.0 -57.98 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.403 -0.817 . . . . 65.319999999999993 110.82 175.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 6' ' ' SER . 85.9 Cg_endo -98.42 0.15 1.21 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.552 2.168 . . . . 73.319999999999993 114.82 -173.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 14' ' ' ARG . 5.9 mptp? 61.71 -85.31 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.795 0.438 . . . . 74.349999999999994 110.282 -170.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.935 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 18.6 mm-40 85.94 -89.35 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.097 1.359 . . . . 74.329999999999998 113.563 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.935 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 15.9 Cg_endo -93.22 114.08 0.26 Allowed 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 121.93 1.754 . . . . 73.430000000000007 113.498 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -64.04 -32.27 73.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.92 -0.582 . . . . 73.510000000000005 110.424 174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' A' ' 90' ' ' VAL . 47.2 tt0 -56.36 -58.4 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 64.439999999999998 111.849 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 10' ' ' PRO . 3.9 pp -80.36 -7.84 59.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.674 0.273 . . . . 75.349999999999994 111.64 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 8' ' ' LYS . 70.5 mtt180 -103.32 -2.24 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.037 0.446 . . . . 74.5 110.681 177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HE2' ' HB1' ' A' ' 89' ' ' ALA . 7.2 ttpm? -103.11 135.17 45.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.811 -0.631 . . . . 51.439999999999998 110.09 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.4 tp -105.13 128.59 53.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.731 -0.668 . . . . 63.240000000000002 110.201 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.651 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 17.4 t80 -87.86 120.19 28.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.922 -0.581 . . . . 74.530000000000001 109.508 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.58 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.1 mm -111.94 93.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.374 -0.376 . . . . 71.239999999999995 110.142 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 146.61 16.54 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.156 -1.021 . . . . 71.530000000000001 111.849 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.729 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 94.95 23.03 21.61 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.665 -0.779 . . . . 25.41 112.534 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.0 pp -91.54 164.54 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.173 -0.306 . . . . 71.209999999999994 110.173 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 m -75.33 164.33 26.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.298 -0.41 . . . . 63.340000000000003 111.185 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.597 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 60.5 m-85 -76.49 -5.61 48.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.607 0.718 . . . . 61.409999999999997 109.586 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.32 -17.6 32.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.703 -1.135 . . . . 70.239999999999995 109.436 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.681 ' HB ' HD13 ' A' ' 21' ' ' LEU . 94.6 m -74.46 115.02 13.52 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.121 -0.945 . . . . 70.120000000000005 110.771 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.3 t -118.35 171.56 8.06 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.318 -0.856 . . . . 74.349999999999994 109.389 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.95 -48.09 43.27 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.605 0.362 . . . . 74.540000000000006 111.653 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.3 pt-20 -64.65 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 111.533 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 89.5 p -82.62 -29.13 30.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.218 -0.593 . . . . 65.010000000000005 109.765 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 18' ' ' ILE . 2.8 tm? -71.21 -52.13 20.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.942 -0.572 . . . . 52.210000000000001 109.815 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 3.8 ptm180 -67.38 -38.43 84.72 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.475 -0.49 . . . . 74.010000000000005 110.761 -176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -62.01 -32.43 72.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.698 0.285 . . . . 72.329999999999998 111.162 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' A' ' 29' ' ' SER . 51.8 m-70 -72.41 -44.54 62.32 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.894 -0.322 . . . . 61.140000000000001 110.522 175.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 18' ' ' ILE . 50.4 m-85 -80.13 -13.08 59.55 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.49 0.552 . . . . 74.349999999999994 112.49 -175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 34.5 mt-10 -76.74 3.3 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.073 0.463 . . . . 63.229999999999997 111.124 176.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 45.4 mt-30 -80.08 -33.7 38.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.231 -0.44 . . . . 60.109999999999999 110.841 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 24.3 m-90 -105.83 10.49 32.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.334 -0.394 . . . . 75.299999999999997 110.553 -178.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.611 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 168.11 -174.83 42.99 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.093 -1.051 . . . . 65.109999999999999 113.497 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 39.7 m -108.89 120.8 43.59 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 122.536 0.334 . . . . 53.399999999999999 110.466 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 60' ' ' VAL . 28.0 mt -89.56 103.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.016 0.436 . . . . 72.319999999999993 110.341 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.7 p -71.33 -28.72 64.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.639 -0.709 . . . . 63.009999999999998 109.969 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 33.5 t70 -139.08 107.64 5.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 75.340000000000003 110.247 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.538 ' SG ' ' HD2' ' A' ' 31' ' ' ARG . 31.3 p -113.65 149.6 34.4 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.815 -0.439 . . . . 51.329999999999998 109.815 176.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.629 HG21 " H1'" ' B' ' 5' ' ' ' G' . 12.9 p -173.19 140.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.214 0.53 . . . . 72.400000000000006 111.018 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -120.61 139.72 47.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.927 -0.579 . . . . 75.219999999999999 109.779 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HB3' ' HD2' ' A' ' 55' ' ' ARG . 1.2 mpt? -83.36 137.02 34.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.092 -0.503 . . . . 63.32 110.275 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' A' ' 53' ' ' ARG . 10.9 mmt180 -107.27 150.8 26.26 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.934 -0.576 . . . . 65.209999999999994 109.793 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 9.8 t70 -58.84 135.71 87.03 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.547 -0.751 . . . . 63.32 109.231 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.09 -14.56 44.95 Favored 'Trans proline' 0 C--N 1.332 -0.296 0 C-N-CA 122.119 1.88 . . . . 64.409999999999997 112.47 -178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -105.15 -56.34 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.006 0.432 . . . . 71.299999999999997 110.185 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 p -79.71 -30.51 41.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 54.520000000000003 110.889 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.9 mmmt 63.75 25.42 14.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.577 -0.738 . . . . 73.430000000000007 110.901 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.577 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 9.1 mpt_? -94.16 -73.09 0.58 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.072 -0.513 . . . . 73.530000000000001 110.441 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 33.9 t -157.74 153.34 26.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.143 -0.48 . . . . 63.119999999999997 109.721 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 62.6 mtt180 -99.75 -2.55 34.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.381 -0.372 . . . . 73.299999999999997 111.268 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.678 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 87.55 16.7 59.79 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.31 -0.948 . . . . 74.209999999999994 112.262 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.751 ' CE1' H5'' ' B' ' 3' ' ' ' A' . 27.9 p90 -164.2 161.25 22.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.02 0.438 . . . . 71.519999999999996 110.951 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.39 -176.84 31.9 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.525 -0.762 . . . . 71.439999999999998 111.315 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CE2' ' HE2' ' A' ' 46' ' ' MET . 92.1 m-85 -135.04 152.46 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.197 0.522 . . . . 54.43 111.242 -178.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.794 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -146.59 113.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.367 -0.833 . . . . 60.210000000000001 110.846 -179.435 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 27.8 m -97.01 121.6 39.07 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.588 -0.733 . . . . 72.450000000000003 109.417 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.38 173.53 10.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.123 0.487 . . . . 72.200000000000003 111.288 -177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.32 -38.52 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 74.200000000000003 109.469 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.636 HG23 ' HG3' ' A' ' 67' ' ' GLU . 1.5 t -141.29 156.19 45.9 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.643 -0.708 . . . . 71.120000000000005 109.869 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.91 -22.72 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.949 -0.569 . . . . 44.310000000000002 111.0 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -57.96 -38.51 76.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 70.420000000000002 110.497 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.636 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.6 mt-10 -74.13 -38.41 63.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.765 -0.652 . . . . 73.140000000000001 110.417 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.617 HG13 HD13 ' A' ' 16' ' ' LEU . 31.4 t -54.97 -45.84 76.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.792 -0.64 . . . . 74.150000000000006 110.545 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.65 -46.3 87.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 74.310000000000002 110.721 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.08 94.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 73.349999999999994 111.251 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.11 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 64.230000000000004 110.904 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.511 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 38.7 mtt -68.35 -41.26 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.531 178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.42 -14.25 62.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.265 -0.425 . . . . 52.299999999999997 110.864 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.6 18.88 2.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.966 -0.561 . . . . 51.439999999999998 111.536 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -83.5 150.84 60.93 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.232 -0.284 . . . . 74.230000000000004 110.232 177.209 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 14.5 Cg_exo -68.81 120.9 4.56 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.568 -1.43 . . . . 61.32 111.494 -2.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.536 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 43.1 t-80 -72.68 142.3 48.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.217 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.82 115.37 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.896 0.379 . . . . 73.219999999999999 110.841 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' PHE . 86.3 t -127.43 122.77 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.055 -0.52 . . . . 52.530000000000001 109.849 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 25' ' ' THR . 3.2 m-20 63.39 22.56 13.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.781 0.432 . . . . 42.539999999999999 111.651 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.97 14.35 79.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 64.209999999999994 111.739 -176.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -115.98 129.94 56.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.909 -0.404 . . . . 74.340000000000003 109.909 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.11 106.33 5.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.896 0.379 . . . . 64.400000000000006 110.14 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.7 m -95.75 178.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.294 -0.412 . . . . 54.420000000000002 110.528 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -133.88 95.04 17.65 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.377 -0.374 . . . . 61.130000000000003 110.051 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 69.7 Cg_endo -81.56 120.59 3.58 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.836 2.357 . . . . 64.430000000000007 112.284 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -134.26 164.51 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.959 -0.564 . . . . 72.099999999999994 110.58 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 118.29 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 74.209999999999994 109.542 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HA ' ' C2 ' ' B' ' 3' ' ' ' A' . . . -76.97 104.94 7.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.002 0.43 . . . . 52.310000000000002 111.757 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.434 ' HA ' HE21 ' A' ' 12' ' ' GLN . 59.0 t -56.62 141.24 13.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.561 0 CA-C-N 115.377 -0.829 . . . . 74.400000000000006 110.65 177.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.48 ' HB3' ' OE2' ' A' ' 93' ' ' GLU . 50.1 m -49.38 132.43 20.38 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.96 0.41 . . . . 60.109999999999999 111.625 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -64.51 -16.79 63.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.98 -0.554 . . . . 73.519999999999996 110.802 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' OE2' ' HB3' ' A' ' 91' ' ' SER . 9.1 mp0 -64.51 -43.56 93.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 51.340000000000003 109.956 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.85 -46.38 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.509 -0.769 . . . . 73.129999999999995 111.219 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.67 ' HB2' ' N2 ' ' B' ' 4' ' ' ' G' . 15.5 m -110.89 101.73 10.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.049 -0.523 . . . . 71.129999999999995 111.484 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.74 -25.9 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.239 0.543 . . . . 73.439999999999998 110.401 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.902 0 CA-C-O 117.823 -1.084 . . . . 74.319999999999993 110.489 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.822 " H3'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 O4'-C1'-C2' 107.937 1.098 . 0.0 '__' . 70.019999999999996 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.822 H5'' " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C4'-C3'-C2' 104.18 1.48 . 0.0 OUTLIER . 75.5 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.916 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 C3'-C2'-C1' 98.722 -3.087 . 0.0 OUTLIER gamma 75.010000000000005 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.916 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C1'-O4'-C4' 106.918 -2.98 OUTLIER-DELTA 0.0 OUTLIER delta 75.530000000000001 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 1.091 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C4'-C3'-C2' 103.767 1.067 . 0.0 OUTLIER delta-1 75.140000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.091 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C4'-C3'-C2' 103.638 0.938 . 0.0 OUTLIER alpha 71.109999999999999 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.992 ' C6 ' " H4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 107.897 1.069 . 0.0 OUTLIER . 74.120000000000005 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 110.231 -0.285 . . . . 52.340000000000003 110.231 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -89.87 115.01 26.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.153 0.501 . . . . 73.230000000000004 109.826 178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.6 -177.85 4.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.955 -0.566 . . . . 75.329999999999998 109.753 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 8' ' ' LYS . 45.4 m -86.44 114.12 22.94 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.817 -0.438 . . . . 44.43 109.817 176.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.38 118.44 12.26 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.577 -0.527 . . . . 65.239999999999995 109.577 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m 67.44 132.01 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.236 0 O-C-N 124.087 0.867 . . . . 61.539999999999999 109.435 -166.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.43 105.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.316 2.678 . . . . 61.200000000000003 112.232 -176.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.722 ' HB2' ' HB3' ' A' ' 4' ' ' SER . 0.9 OUTLIER -82.1 89.49 6.46 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.948 0.88 . . . . 74.150000000000006 109.257 -176.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' OE1' ' HD3' ' A' ' 14' ' ' ARG . 40.1 tt0 -140.89 124.28 10.07 Favored Pre-proline 0 C--N 1.306 -1.293 0 CA-C-N 114.218 -1.355 . . . . 73.219999999999999 107.989 -178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.2 Cg_endo -43.67 108.34 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.51 2.807 . . . . 75.230000000000004 112.978 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.569 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 -61.59 -22.38 65.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 75.319999999999993 110.174 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 90' ' ' VAL . 40.3 tt0 -51.74 -61.0 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.454 -0.793 . . . . 35.049999999999997 112.145 176.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -81.75 -6.78 59.35 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.703 -0.399 . . . . 73.099999999999994 111.143 -172.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 46.5 mtm180 -94.57 -10.98 30.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.231 0.538 . . . . 73.200000000000003 109.656 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -95.03 139.42 31.41 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.503 -0.771 . . . . 74.109999999999999 109.715 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.663 HD13 HG13 ' A' ' 68' ' ' VAL . 7.6 tp -110.12 128.06 55.24 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.436 -0.802 . . . . 63.32 109.409 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CE2' " H5'" ' B' ' 3' ' ' ' A' . 25.8 t80 -84.65 109.48 18.03 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 74.129999999999995 109.477 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG22 HD23 ' A' ' 21' ' ' LEU . 19.7 mm -106.43 103.21 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.055 -0.521 . . . . 74.340000000000003 110.466 -174.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.695 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -119.49 157.86 15.3 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.066 -1.064 . . . . 70.209999999999994 111.864 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.713 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 83.47 27.81 38.15 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.65 -0.785 . . . . 22.510000000000002 112.086 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.59 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.7 pp -96.14 -179.92 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 72.109999999999999 110.986 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 t -81.59 151.9 27.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.658 -0.701 . . . . 73.25 110.818 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.04 -6.99 49.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 74.430000000000007 110.148 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.597 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 14.8 mt-10 -92.15 -9.82 41.07 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.391 -0.822 . . . . 72.120000000000005 109.062 178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.59 ' HB ' HD13 ' A' ' 21' ' ' LEU . 28.5 m -74.46 114.03 12.38 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.185 -0.916 . . . . 71.239999999999995 109.993 175.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -119.92 -178.06 3.56 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 74.129999999999995 109.398 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.73 -51.26 29.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.139 0.422 . . . . 74.409999999999997 112.139 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.73 -36.62 84.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.392 -0.367 . . . . 63.340000000000003 111.216 -178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -70.07 -37.6 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.311 0.577 . . . . 73.140000000000001 109.57 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.34 -53.47 35.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.257 -0.883 . . . . 60.109999999999999 109.707 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.1 ptm180 -67.64 -42.0 82.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.276 -0.57 . . . . 74.25 110.953 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 m -64.18 -35.14 79.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.774 0.321 . . . . 75.049999999999997 111.486 -176.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.499 ' HB3' HG22 ' A' ' 79' ' ' VAL . 14.0 m80 -79.87 -12.98 59.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.522 -0.308 . . . . 72.430000000000007 111.721 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.49 ' CE2' HG21 ' A' ' 79' ' ' VAL . 27.2 m-85 -108.58 -21.69 12.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.542 0.571 . . . . 74.450000000000003 112.542 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.686 ' HG2' HD13 ' A' ' 40' ' ' LEU . 48.5 mt-10 -75.15 15.01 0.47 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.117 0.484 . . . . 75.120000000000005 111.215 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 44.0 mt-30 -87.12 -32.87 19.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.918 -0.583 . . . . 70.409999999999997 110.692 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 30.2 m-90 -104.25 11.09 35.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.897 -0.592 . . . . 72.310000000000002 110.602 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.534 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.19 -166.97 39.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.416 -0.897 . . . . 62.240000000000002 112.689 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 121.9 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.371 0.269 . . . . 73.310000000000002 110.42 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.686 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.4 mp -90.47 114.64 26.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.47 -0.492 . . . . 72.310000000000002 109.883 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -81.89 -24.26 35.8 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.658 0.742 . . . . 75.140000000000001 109.374 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.578 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 6.8 m-20 -141.95 130.26 22.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.509 -1.223 . . . . 72.430000000000007 108.935 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.9 p -144.99 142.6 29.94 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.159 -0.682 . . . . 61.25 109.159 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.678 HG21 " H1'" ' B' ' 5' ' ' ' G' . 8.7 p -166.92 152.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.317 0.579 . . . . 63.340000000000003 111.737 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 60.4 t -121.34 140.3 45.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 108.046 -1.094 . . . . 74.430000000000007 108.046 169.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.69 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 22.8 mmt -81.97 138.65 34.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.058 -0.719 . . . . 70.140000000000001 109.058 177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.551 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -111.13 158.42 18.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.349 -0.387 . . . . 64.340000000000003 110.686 -173.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.4 t70 -60.79 137.68 93.35 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.035 -0.728 . . . . 71.420000000000002 109.035 173.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.25 -15.32 47.87 Favored 'Trans proline' 0 C--N 1.333 -0.246 0 C-N-CA 122.338 2.025 . . . . 75.519999999999996 112.348 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -107.03 -50.45 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 64.319999999999993 110.489 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.7 p -88.39 -31.12 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.549999999999997 111.695 -174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 14.8 mmmm 64.54 30.24 12.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.815 -0.63 . . . . 73.219999999999999 111.771 -178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.64 -75.34 0.5 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.261 -0.575 . . . . 73.319999999999993 110.844 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.2 t -158.13 144.12 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.071 0.462 . . . . 72.230000000000004 111.212 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.837 ' HE ' ' HE2' ' A' ' 57' ' ' PHE . 5.7 mtp180 -102.44 11.97 37.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.938 -0.573 . . . . 73.540000000000006 110.953 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.746 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 79.09 19.39 72.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.310000000000002 113.384 174.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.837 ' HE2' ' HE ' ' A' ' 55' ' ' ARG . 15.8 p90 -166.14 161.36 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 74.129999999999995 110.266 176.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.36 -168.05 20.05 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.161 -0.542 . . . . 64.140000000000001 112.223 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.88 153.96 50.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.242 0.544 . . . . 71.329999999999998 110.773 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.686 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.0 p -147.15 124.72 3.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.35 -0.841 . . . . 75.519999999999996 110.044 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.578 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 6.8 m -115.98 117.86 31.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.405 -0.361 . . . . 75.420000000000002 110.268 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 70.1 m-85 -83.99 172.69 11.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.029 -0.532 . . . . 75.25 110.698 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.44 65.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.502 0.667 . . . . 73.030000000000001 109.815 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' HG3' ' A' ' 67' ' ' GLU . 4.2 t -148.57 155.36 41.01 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.939 -1.028 . . . . 64.120000000000005 109.493 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -64.78 -18.65 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.283 -0.417 . . . . 74.319999999999993 111.846 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -63.55 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.457 . . . . 72.540000000000006 110.485 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.8 mt-10 -77.96 -33.92 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.959 -0.564 . . . . 72.0 109.651 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 16' ' ' LEU . 16.2 t -59.28 -44.96 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.532 -0.758 . . . . 63.539999999999999 110.106 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.52 -45.76 84.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.523 -0.762 . . . . 64.310000000000002 110.5 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.43 89.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 71.129999999999995 111.173 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.91 85.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.371 -0.377 . . . . 44.409999999999997 110.884 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 42.0 mtt -64.3 -45.12 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.085 0.469 . . . . 70.239999999999995 110.511 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -69.75 -12.69 61.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 75.409999999999997 110.981 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.84 -6.07 59.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 63.310000000000002 111.172 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.621 ' HG2' ' HA ' ' A' ' 76' ' ' PRO . 7.0 tmm_? -56.53 138.74 75.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 62.149999999999999 110.506 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.621 ' HA ' ' HG2' ' A' ' 75' ' ' ARG . 10.6 Cg_exo -71.14 126.74 10.99 Favored 'Cis proline' 0 C--N 1.35 0.628 0 C-N-CA 123.839 -1.317 . . . . 63.039999999999999 112.904 1.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 38.0 t-80 -80.37 153.36 28.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.296 -0.865 . . . . 64.530000000000001 110.092 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -132.74 116.63 16.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.421 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 33' ' ' HIS . 93.4 t -129.9 120.07 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.445 . . . . 34.420000000000002 110.143 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.597 ' OD2' ' HB2' ' A' ' 24' ' ' GLU . 18.2 t70 60.67 35.82 19.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.406 0.622 . . . . 74.340000000000003 110.892 177.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.87 14.18 80.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.901 -0.666 . . . . 62.43 112.423 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -124.13 134.02 53.44 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.25 -0.278 . . . . 73.519999999999996 110.25 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.64 113.49 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.48 -0.563 . . . . 53.409999999999997 109.48 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 21' ' ' LEU . 29.0 m -99.89 159.43 3.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.638 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' HB3' ' H3 ' ' B' ' 2' ' ' ' U' . 38.4 tt0 -115.56 101.67 54.25 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.068 -0.515 . . . . 72.219999999999999 109.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HB2' HD21 ' A' ' 16' ' ' LEU . 56.3 Cg_endo -92.52 113.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.388 2.726 . . . . 71.120000000000005 113.013 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -124.0 162.18 23.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.319999999999993 110.234 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.07 136.01 57.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.18 -0.304 . . . . 75.120000000000005 110.18 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.658 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -80.97 164.67 22.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.475 0.655 . . . . 52.229999999999997 112.023 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' HA ' HE21 ' A' ' 12' ' ' GLN . 40.0 t -112.79 150.94 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.054 -0.975 . . . . 75.219999999999999 109.192 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 p -58.04 130.79 48.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.627 -0.509 . . . . 74.120000000000005 109.627 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.493 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -63.21 -32.66 74.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.411 -0.358 . . . . 75.549999999999997 110.914 -173.351 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.21 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.492 . . . . 71.230000000000004 110.132 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.56 -41.7 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.464 -0.789 . . . . 74.329999999999998 110.846 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t -80.9 -18.99 45.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.282 -0.872 . . . . 53.420000000000002 110.869 -170.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 92' ' ' ARG . 16.2 mm100 -71.86 94.77 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 74.310000000000002 110.537 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.749 -0.643 . . . . 73.310000000000002 109.668 177.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.855 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 102.651 1.279 . 0.0 '__' . 71.219999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.855 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 103.47 0.77 . 0.0 OUTLIER . 60.420000000000002 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.734 H5'' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 C3'-C2'-C1' 103.003 1.67 . 0.0 OUTLIER gamma 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.69 " H1'" ' HE1' ' A' ' 46' ' ' MET . . . . . . . . 0 O5'--C5' 1.421 -1.196 0 C1'-O4'-C4' 107.576 -2.248 . 0.0 OUTLIER gamma 71.420000000000002 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.805 " H5'" ' H6 ' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.048 0 C4'-C3'-C2' 103.78 1.08 . 0.0 OUTLIER gamma 71.409999999999997 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.805 ' H6 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C3'-C2'-C1' 100.584 -1.018 . 0.0 OUTLIER alpha 74.540000000000006 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.668 ' C5 ' " H5'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 O4'-C1'-C2' 107.597 0.855 . 0.0 OUTLIER gamma 70.209999999999994 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.937 0.398 . . . . 60.32 110.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -94.89 105.94 17.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.063 -0.517 . . . . 74.530000000000001 110.269 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -79.59 148.03 31.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.108 -0.496 . . . . 75.450000000000003 110.763 -178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.1 t -90.53 -41.79 11.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.018 -0.734 . . . . 51.340000000000003 109.018 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -107.03 111.48 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.42 -0.809 . . . . 71.349999999999994 110.523 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 54.0 m -80.94 116.24 61.12 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.921 -0.581 . . . . 72.010000000000005 110.045 177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 6' ' ' SER . 5.7 Cg_exo -78.53 0.7 9.71 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 123.113 2.542 . . . . 72.400000000000006 112.389 -177.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.864 ' HA ' ' HD2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -84.44 70.13 10.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.454 0.645 . . . . 61.5 111.746 -177.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.925 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 34.4 mt-10 -64.35 -58.26 14.57 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.64 -0.709 . . . . 64.439999999999998 109.931 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.925 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 25.8 Cg_endo -90.13 104.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.048 1.832 . . . . 72.049999999999997 110.846 170.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.576 ' HG3' HG21 ' A' ' 61' ' ' THR . 33.7 tt0 -70.35 -24.72 63.03 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.9 -0.591 . . . . 74.010000000000005 110.054 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -55.92 -57.98 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.031 0.443 . . . . 64.040000000000006 111.18 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 13' ' ' LEU . 4.2 pp -82.27 -9.86 59.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 74.120000000000005 111.785 -170.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.864 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 37.9 mtt85 -104.16 -2.2 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.482 -0.327 . . . . 72.450000000000003 110.874 177.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 23.3 ttmm -95.54 139.72 31.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.259 0.552 . . . . 65.349999999999994 109.861 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.649 HD13 HG13 ' A' ' 68' ' ' VAL . 10.8 tp -106.11 125.87 51.51 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.512 -0.767 . . . . 62.140000000000001 109.968 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 86' ' ' PRO . 41.5 t80 -87.28 120.59 28.72 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.926 -0.579 . . . . 73.109999999999999 109.623 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.476 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 11.7 mm -112.32 96.92 5.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.31 -0.405 . . . . 75.239999999999995 110.54 -175.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.8 146.01 16.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.378 -0.915 . . . . 71.319999999999993 111.638 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.605 ' HA2' " O5'" ' B' ' 1' ' ' ' U' . . . 97.96 14.72 38.71 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.754 -0.736 . . . . 72.230000000000004 112.797 176.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.3 pp -86.65 165.76 15.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.791 0.296 . . . . 74.109999999999999 110.688 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -79.08 172.81 13.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.199 0.523 . . . . 61.130000000000003 111.132 -173.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.745 ' HA ' ' OG ' ' A' ' 54' ' ' SER . 50.8 m-85 -82.54 -2.38 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.557 0.694 . . . . 64.409999999999997 109.563 175.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -98.23 -7.11 29.87 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.099 -0.955 . . . . 73.420000000000002 109.104 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.663 ' HB ' HD13 ' A' ' 21' ' ' LEU . 50.1 m -77.21 93.8 4.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.385 -0.825 . . . . 65.019999999999996 110.324 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.508 HG23 ' HG2' ' A' ' 28' ' ' GLU . 9.8 t -95.52 168.81 10.46 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.907 -0.588 . . . . 74.340000000000003 109.591 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.528 ' HA ' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -57.88 -41.48 82.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 74.340000000000003 111.329 -172.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.508 ' HG2' HG23 ' A' ' 26' ' ' THR . 13.2 pt-20 -64.91 -39.15 93.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.014 -0.539 . . . . 72.230000000000004 110.852 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 m -70.47 -37.47 74.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 64.439999999999998 109.958 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.515 HD22 HG12 ' A' ' 45' ' ' VAL . 29.6 tp -65.14 -54.01 36.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.462 -0.79 . . . . 71.430000000000007 110.432 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 4.6 ptp180 -60.59 -38.0 83.2 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.421 -0.354 . . . . 74.340000000000003 110.192 -177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.3 m -61.19 -39.42 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 72.219999999999999 111.186 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 31.4 m170 -84.5 -4.97 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.838 0.31 . . . . 75.519999999999996 111.838 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' CE2' HG21 ' A' ' 79' ' ' VAL . 41.9 m-85 -111.57 -17.65 13.0 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.609 -0.436 . . . . 74.120000000000005 111.882 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 57.7 mt-10 -75.78 4.05 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.48 . . . . 73.409999999999997 110.419 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 48.2 mt-30 -75.2 -43.82 49.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.972 -0.558 . . . . 73.340000000000003 110.976 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 36' ' ' GLN . 26.2 m-90 -99.82 5.2 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 74.140000000000001 111.244 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.547 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 174.77 -179.13 46.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.082 -1.056 . . . . 72.209999999999994 113.275 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -101.24 124.24 46.62 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.365 0.266 . . . . 73.230000000000004 110.91 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD22 HG23 ' A' ' 60' ' ' VAL . 8.5 mt -90.75 111.38 22.73 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.304 -0.558 . . . . 71.129999999999995 110.14 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -76.51 -24.48 53.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.663 0.744 . . . . 65.230000000000004 109.146 175.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.69 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 17.0 t70 -144.43 146.41 32.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.606 -1.179 . . . . 70.230000000000004 109.131 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.0 t -169.84 141.71 2.3 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.213 -0.662 . . . . 54.0 109.213 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 12.6 p -169.53 148.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.883 -0.414 . . . . 42.009999999999998 109.883 -177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 27' ' ' ASP . 27.8 m -106.74 157.28 7.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.935 -0.395 . . . . 74.349999999999994 109.935 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.514 ' HG3' ' HE1' ' A' ' 57' ' ' PHE . 21.9 mmt -92.55 140.12 29.88 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.468 -0.938 . . . . 65.230000000000004 108.468 173.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -120.5 152.53 37.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.288 0.566 . . . . 71.209999999999994 110.846 -174.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.94 138.13 96.23 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.089 -0.959 . . . . 73.439999999999998 109.508 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.47 -18.48 59.84 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.161 1.907 . . . . 55.109999999999999 112.215 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -104.22 -56.86 2.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.338 -0.392 . . . . 74.319999999999993 110.378 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' HB ' ' HD3' ' A' ' 53' ' ' ARG . 16.7 p -77.59 -31.62 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 71.409999999999997 111.198 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 2.4 mmmp? 63.12 30.28 16.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.198 -0.456 . . . . 63.439999999999998 110.384 -177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 11.4 mpt_? -92.92 -80.49 0.37 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.555 -0.535 . . . . 70.329999999999998 109.555 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.745 ' OG ' ' HA ' ' A' ' 23' ' ' PHE . 53.4 p -156.05 -177.53 6.64 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.561 -0.903 . . . . 74.340000000000003 108.561 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.54 ' NH2' H5'' ' B' ' 4' ' ' ' G' . 10.6 mtm-85 -122.16 16.06 10.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.902 0.382 . . . . 71.430000000000007 110.759 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.714 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 80.76 7.4 88.61 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.558 -0.83 . . . . 71.129999999999995 112.398 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.874 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 19.3 p90 -159.33 160.23 34.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.239 0.542 . . . . 74.329999999999998 111.549 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.45 -175.13 29.03 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.321 -0.854 . . . . 70.310000000000002 111.434 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE2' ' HE3' ' A' ' 46' ' ' MET . 92.3 m-85 -135.72 153.61 51.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.597 0.713 . . . . 75.319999999999993 111.78 -177.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.646 HG13 ' HB3' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -150.05 116.72 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 75.209999999999994 108.934 -178.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.69 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.3 m -104.95 115.35 30.14 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.697 -0.483 . . . . 62.109999999999999 109.697 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -75.67 -178.66 4.29 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.88 0.372 . . . . 72.409999999999997 110.677 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.62 -36.96 28.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.087 -0.708 . . . . 64.010000000000005 109.087 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 67' ' ' GLU . 2.5 t -144.87 154.44 42.63 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.416 -0.811 . . . . 71.319999999999993 110.619 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.54 -29.36 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.826 0.676 . . . . 70.25 112.826 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.16 -20.08 66.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.677 0.275 . . . . 70.129999999999995 111.345 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 64' ' ' THR . 25.0 mt-10 -83.23 -38.63 21.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.426 -0.583 . . . . 73.420000000000002 109.426 175.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG13 HD13 ' A' ' 16' ' ' LEU . 24.7 t -56.98 -52.32 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.329 -0.85 . . . . 63.329999999999998 110.282 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -63.57 -33.25 75.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.772 -0.649 . . . . 61.210000000000001 110.948 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.6 98.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 52.32 110.394 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.72 78.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.024 -0.534 . . . . 71.340000000000003 110.172 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 35.1 mtt -69.13 -33.73 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.576 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -72.2 -13.02 61.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.955 0.407 . . . . 63.100000000000001 110.694 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.41 16.45 18.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 74.349999999999994 111.293 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HA ' ' N ' ' A' ' 77' ' ' HIS . 8.3 ptm180 -79.3 150.5 74.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 75.109999999999999 110.296 178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 12.6 Cg_exo -69.82 123.88 7.2 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.729 -1.363 . . . . 74.219999999999999 112.265 0.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.47 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 44.3 t-80 -71.64 149.89 45.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.558 -0.746 . . . . 75.0 110.253 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 112.0 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.706 0.289 . . . . 64.510000000000005 110.724 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 34' ' ' PHE . 89.9 t -123.01 122.64 66.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.253 -0.431 . . . . 72.319999999999993 109.96 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' H ' ' CE1' ' A' ' 33' ' ' HIS . 30.9 t70 60.84 31.18 20.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.536 0.684 . . . . 35.119999999999997 110.314 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.37 23.34 77.52 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.601 -0.809 . . . . 75.420000000000002 111.752 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -122.53 128.33 50.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.969 -0.382 . . . . 63.240000000000002 109.969 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.9 t -72.66 106.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.871 -0.418 . . . . 73.209999999999994 109.871 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.8 m -100.24 169.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.819 0.342 . . . . 74.409999999999997 110.661 -178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -125.09 104.76 29.25 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 116.182 -0.463 . . . . 75.25 109.806 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HB2' HD21 ' A' ' 16' ' ' LEU . 42.0 Cg_endo -91.56 113.48 0.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 123.546 2.831 . . . . 52.109999999999999 112.84 -177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -123.7 161.26 25.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 74.140000000000001 110.916 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.46 126.9 28.92 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.915 -0.402 . . . . 71.109999999999999 109.915 177.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -71.81 154.7 41.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.219 0.533 . . . . 71.420000000000002 112.009 -176.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.83 142.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.534 -0.757 . . . . 63.329999999999998 109.385 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 p -54.92 123.1 12.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.964 0.411 . . . . 61.340000000000003 111.377 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.645 ' HD2' ' O4 ' ' B' ' 6' ' ' ' U' . 0.0 OUTLIER -65.99 -19.77 65.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.288 0.566 . . . . 73.299999999999997 109.973 177.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -65.22 -40.69 94.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.339 -0.846 . . . . 73.219999999999999 109.897 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.12 -39.96 53.95 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.634 -0.712 . . . . 73.030000000000001 110.26 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 92' ' ' ARG . 29.0 t -58.5 -46.95 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.188 -0.914 . . . . 72.310000000000002 111.047 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 42.89 36.62 0.91 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.877 0.871 . . . . 62.43 111.749 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.087 -0.961 . . . . 73.349999999999994 109.613 -176.701 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.856 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 O5'-C5'-C4' 111.475 0.911 . 0.0 '__' . 75.200000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.874 H5'' ' HD2' ' A' ' 57' ' ' PHE . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-C1' 100.254 -1.385 . 0.0 OUTLIER gamma 73.439999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.761 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 C3'-C2'-C1' 100.098 -1.558 . 0.0 OUTLIER . 65.010000000000005 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.761 ' N2 ' " H1'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C1'-O4'-C4' 106.907 -2.992 OUTLIER-DELTA 0.0 OUTLIER delta 73.140000000000001 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.767 ' C4 ' HG11 ' A' ' 44' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C4'-C3'-C2' 104.452 1.752 . 0.0 OUTLIER delta-1 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.706 ' H5 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 108.059 1.185 . 0.0 OUTLIER gamma 72.019999999999996 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.589 ' H6 ' " O4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 104.105 -0.996 . 0.0 OUTLIER . 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.644 0.259 . . . . 61.140000000000001 110.571 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -75.98 139.31 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.501 -0.318 . . . . 75.209999999999994 110.619 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm 59.23 55.67 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.594 -0.73 . . . . 74.329999999999998 110.231 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -98.37 148.92 23.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.657 -0.701 . . . . 62.439999999999998 109.449 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.3 mm-40 -73.98 82.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 73.430000000000007 110.884 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 m -94.01 105.03 15.1 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 109.477 -0.564 . . . . 53.310000000000002 109.477 174.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 5.1 Cg_exo -77.64 107.3 2.35 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.904 2.403 . . . . 74.420000000000002 111.465 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -139.8 111.52 7.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.69 0.757 . . . . 73.0 110.49 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.01 134.8 70.96 Favored Pre-proline 0 C--N 1.318 -0.799 0 N-CA-C 108.944 -0.761 . . . . 75.209999999999994 108.944 174.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.556 ' HB2' ' HB3' ' A' ' 13' ' ' LEU . 86.3 Cg_exo -41.32 113.96 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.644 2.896 . . . . 61.210000000000001 113.52 -172.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.26 -38.98 77.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 74.129999999999995 110.053 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 89' ' ' ALA . 9.5 tt0 -56.26 -47.76 77.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.725 -0.67 . . . . 72.230000000000004 111.887 175.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -78.4 -18.17 55.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 71.420000000000002 111.847 -172.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.503 ' HG3' HD23 ' A' ' 13' ' ' LEU . 74.6 mtm180 -95.06 -15.23 23.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.949 0.404 . . . . 72.409999999999997 110.731 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 2.8 ttmp? -81.2 129.89 34.78 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.26 0.553 . . . . 45.210000000000001 111.365 175.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HE2' ' A' ' 62' ' ' TYR . 7.8 mt -92.93 131.16 38.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.583 -0.735 . . . . 72.129999999999995 110.656 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 28.9 t80 -89.97 113.49 25.16 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.965 -0.754 . . . . 73.099999999999994 108.965 174.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 16' ' ' LEU . 18.9 mm -108.77 97.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.253 -0.43 . . . . 73.540000000000006 110.251 -176.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.38 146.02 16.42 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.296 -0.954 . . . . 71.340000000000003 112.045 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.749 ' HA2' H5'' ' B' ' 1' ' ' ' U' . . . 88.11 32.85 11.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.792 -0.718 . . . . 75.409999999999997 112.445 177.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.4 pp -97.67 175.38 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.061 0.457 . . . . 63.329999999999998 111.293 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.6 t -74.11 155.28 38.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.63 -0.714 . . . . 65.239999999999995 110.828 -175.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -78.2 -2.78 39.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.109 0.48 . . . . 70.010000000000005 110.004 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -97.14 -9.9 27.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.348 -0.612 . . . . 71.329999999999998 109.348 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 45.6 m -70.94 92.56 0.93 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.506 -0.77 . . . . 65.109999999999999 110.6 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -93.15 172.34 8.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 72.349999999999994 110.212 178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 17.4 t70 -51.23 -56.18 14.22 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 123.016 0.526 . . . . 74.439999999999998 111.772 -174.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.09 -37.22 79.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 75.239999999999995 111.06 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 22.8 t -70.81 -36.7 73.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.184 0.516 . . . . 72.349999999999994 109.693 -177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD22 HG12 ' A' ' 45' ' ' VAL . 45.3 tp -66.63 -52.36 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.607 -0.724 . . . . 65.25 110.143 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.587 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 16.0 ptt180 -63.83 -37.42 87.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.506 -176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -61.5 -36.91 81.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.873 0.368 . . . . 74.349999999999994 111.193 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 29' ' ' SER . 73.3 m-70 -81.26 -12.52 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.491 -0.322 . . . . 70.430000000000007 111.322 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 39.1 m-85 -106.25 -14.86 15.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.219 0.451 . . . . 75.310000000000002 112.219 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 45.1 mt-10 -67.93 -1.26 5.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.063 0.459 . . . . 75.439999999999998 111.167 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -83.58 -20.8 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.117 -0.492 . . . . 75.230000000000004 112.042 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.2 m-90 -116.86 12.15 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.902 0.382 . . . . 72.099999999999994 110.207 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 160.5 -168.64 36.06 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.996 -1.097 . . . . 70.420000000000002 113.77 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 44.5 m -107.18 127.49 53.56 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.898 0.479 . . . . 54.0 110.759 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.614 ' HG ' ' CG2' ' A' ' 60' ' ' VAL . 1.1 mm? -91.84 113.32 25.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 119.862 -0.735 . . . . 72.340000000000003 111.538 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -85.51 -21.15 28.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.14 -0.936 . . . . 73.439999999999998 110.65 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.633 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 37.1 t70 -149.18 90.94 1.79 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.105 -0.498 . . . . 74.239999999999995 111.183 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.9 p -110.4 145.81 36.93 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.696 -0.483 . . . . 64.319999999999993 109.696 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.685 HG21 ' C4 ' ' B' ' 5' ' ' ' G' . 7.6 p -169.08 137.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 74.150000000000006 110.952 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 30' ' ' LEU . 34.6 m -110.56 148.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.134 0.493 . . . . 63.5 110.697 175.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.479 ' HE2' ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -100.34 140.86 33.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.387 -0.824 . . . . 74.329999999999998 109.886 -179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 16.6 mtp180 -124.07 155.98 37.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.665 -0.698 . . . . 74.5 110.068 -173.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.585 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 14.0 t70 -55.56 137.61 69.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.38 . . . . 75.219999999999999 110.137 -178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.52 -15.63 41.85 Favored 'Trans proline' 0 C--N 1.331 -0.363 0 C-N-CA 122.218 1.946 . . . . 74.420000000000002 112.473 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -106.9 -54.5 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.469 . . . . 70.25 110.188 -176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 p -82.75 -27.79 30.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 63.009999999999998 110.749 -177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.1 mmmt 63.61 31.45 14.58 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.299 -0.864 . . . . 65.549999999999997 111.063 -177.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -92.43 -80.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.427 -0.351 . . . . 63.310000000000002 110.996 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.594 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 69.6 m -157.52 145.25 18.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 65.450000000000003 111.018 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -91.52 -4.01 55.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 111.629 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.73 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 84.64 20.09 58.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.362 -0.923 . . . . 72.209999999999994 112.222 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.901 ' HD2' H5'' ' B' ' 2' ' ' ' U' . 10.4 p90 -162.95 166.68 23.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 74.219999999999999 110.174 177.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.58 -178.97 39.54 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.823 -0.911 . . . . 73.120000000000005 110.823 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.497 ' CD1' ' HD3' ' A' ' 15' ' ' LYS . 97.1 m-85 -126.63 148.54 49.79 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.3 0.571 . . . . 65.450000000000003 110.708 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.614 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 13.0 p -144.26 100.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-O 122.114 0.959 . . . . 75.140000000000001 110.112 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.633 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 9.4 m -94.56 125.26 39.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.552 -0.749 . . . . 61.439999999999998 110.167 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.495 ' HE2' HD12 ' A' ' 16' ' ' LEU . 51.1 m-85 -86.42 177.57 7.39 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.874 0.369 . . . . 75.319999999999993 110.823 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.58 -35.86 60.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.491 0.663 . . . . 54.32 109.688 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 67' ' ' GLU . 7.8 t -143.61 155.79 44.38 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.149 -0.932 . . . . 42.409999999999997 109.815 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.13 -29.52 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 75.530000000000001 111.809 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.59 -35.57 70.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 74.030000000000001 111.511 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 26.3 mt-10 -76.66 -37.5 56.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.086 0.469 . . . . 62.229999999999997 110.095 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 72' ' ' MET . 37.7 t -58.93 -52.2 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.711 -0.677 . . . . 71.120000000000005 110.593 176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -60.66 -34.53 74.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.584 . . . . 72.340000000000003 110.63 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.41 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 75.420000000000002 110.541 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.13 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.439999999999998 110.28 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 39.0 mtt -66.82 -43.92 82.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 70.310000000000002 110.618 177.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -65.25 -24.19 67.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 62.210000000000001 110.793 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.47 7.11 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.79 -0.641 . . . . 52.219999999999999 112.059 -175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.463 HH11 ' HD3' ' A' ' 75' ' ' ARG . 15.9 ptt-85 -66.98 149.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.309 -0.256 . . . . 65.340000000000003 110.309 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.57 129.74 17.95 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.528 -1.447 . . . . 75.319999999999993 113.017 2.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 20.1 t-80 -74.97 161.09 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.703 -0.68 . . . . 73.540000000000006 110.294 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -146.62 112.18 5.59 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.61 -0.515 . . . . 74.25 109.61 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -129.03 131.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.875 -0.417 . . . . 73.310000000000002 109.875 177.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 79' ' ' VAL . 19.0 t70 71.79 -57.17 0.62 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.173 0.921 . . . . 70.230000000000004 110.01 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.53 33.64 0.02 OUTLIER Glycine 0 CA--C 1.501 -0.786 0 N-CA-C 108.808 -1.717 . . . . 62.009999999999998 108.808 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 12.8 tpp180 -132.25 128.46 37.9 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.434 -0.883 . . . . 73.150000000000006 110.285 -170.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.0 t -76.36 109.37 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.316 -0.624 . . . . 65.400000000000006 109.316 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 21' ' ' LEU . 28.5 m -104.81 174.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.861 -0.609 . . . . 71.030000000000001 111.191 -175.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.36 101.97 30.59 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.873 -0.603 . . . . 65.120000000000005 109.659 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -91.07 115.11 0.43 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.33 2.687 . . . . 43.140000000000001 112.674 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -128.54 160.11 33.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 64.230000000000004 110.307 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.44 126.7 28.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.077 -0.342 . . . . 63.100000000000001 110.077 178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.629 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -65.33 144.07 57.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.912 0.386 . . . . 75.25 111.21 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.415 ' HA ' HE21 ' A' ' 12' ' ' GLN . 9.1 p -93.59 164.33 2.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.29 -0.633 . . . . 72.319999999999993 109.29 175.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.8 m -62.95 126.82 28.6 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.01 -0.737 . . . . 75.129999999999995 109.01 176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 6.6 ptp85 -60.9 -28.89 69.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.746 0.308 . . . . 75.439999999999998 110.627 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -58.08 -38.03 75.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.874 -0.603 . . . . 73.409999999999997 110.398 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.556 ' HA ' ' HD2' ' A' ' 97' ' ' ARG . 7.9 m-20 -73.62 -23.5 59.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 70.450000000000003 111.391 -178.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.7 m -92.71 -20.85 20.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.507 -0.315 . . . . 61.539999999999999 111.446 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.705 ' NE2' " H4'" ' B' ' 7' ' ' ' C' . 28.9 mt-30 -65.31 -49.8 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 64.439999999999998 110.676 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.683 ' HD3' ' O ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.84 0 CA-C-N 115.942 -0.572 . . . . 74.329999999999998 110.572 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.911 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O4'-C1'-C2' 108.247 1.32 . 0.0 '__' . 75.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.911 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 100.582 -1.02 . 0.0 OUTLIER gamma 75.510000000000005 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.751 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.333 1.38 . 0.02 0b . 73.230000000000004 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.943 " H4'" " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.059 1 C1'-O4'-C4' 105.66 -4.378 OUTLIER-DELTA 0.0 OUTLIER delta 75.510000000000005 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.943 " H5'" " H4'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 103.804 -1.211 . 0.0 OUTLIER delta-1 75.319999999999993 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.657 ' H5 ' ' C8 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 C3'-C2'-C1' 100.06 -1.6 . 0.297 5q . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.705 " H4'" ' NE2' ' A' ' 96' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-C2' 107.282 0.63 . 0.0 OUTLIER . 74.200000000000003 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.703 0.287 . . . . 72.5 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -65.01 -28.73 69.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.917 0.389 . . . . 70.420000000000002 111.002 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -87.4 27.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 74.540000000000006 111.088 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t -75.42 -173.35 2.07 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.345 -0.613 . . . . 74.400000000000006 109.345 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.37 103.13 1.91 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.617 0.722 . . . . 74.439999999999998 110.679 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.2 m -140.79 132.54 14.01 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.354 -0.839 . . . . 70.420000000000002 109.037 178.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.614 ' HB2' HH21 ' A' ' 14' ' ' ARG . 23.4 Cg_exo -64.28 116.14 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.206 1.937 . . . . 64.010000000000005 110.763 176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 tppp? -156.71 98.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.657 0.265 . . . . 74.099999999999994 111.698 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.881 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . 6.9 tp10 -137.87 -64.78 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.335 -0.393 . . . . 70.329999999999998 111.026 171.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 9' ' ' GLU . 4.7 Cg_exo -76.67 103.95 1.83 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.62 1.547 . . . . 65.400000000000006 112.171 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -63.59 -43.95 95.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.541 -0.754 . . . . 71.120000000000005 110.818 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.673 ' OE1' ' HB2' ' A' ' 91' ' ' SER . 6.5 pt20 -65.16 -37.04 86.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.056 -0.52 . . . . 64.129999999999995 110.72 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' HB3' ' HB2' ' A' ' 10' ' ' PRO . 3.3 tt -80.24 -18.69 48.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.055 0.455 . . . . 63.240000000000002 110.87 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.614 HH21 ' HB2' ' A' ' 7' ' ' PRO . 23.8 mtt85 -93.24 -5.67 49.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.152 0.501 . . . . 74.120000000000005 109.918 173.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' THR . 25.2 ttmm -93.27 136.46 33.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.346 -0.843 . . . . 75.150000000000006 109.874 175.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.673 HD13 HG13 ' A' ' 68' ' ' VAL . 9.2 tp -103.25 126.42 50.41 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.511 -0.768 . . . . 75.310000000000002 109.993 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.525 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 18.8 t80 -87.0 109.88 19.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.956 -0.757 . . . . 52.020000000000003 108.956 176.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.493 HG21 HD21 ' A' ' 30' ' ' LEU . 10.8 mm -102.35 95.74 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.326 -0.397 . . . . 45.329999999999998 110.105 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.67 147.78 18.02 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 120.026 -1.083 . . . . 52.140000000000001 111.684 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.764 ' HA2' " H5'" ' B' ' 1' ' ' ' U' . . . 98.0 19.66 23.42 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.819 -0.705 . . . . 70.129999999999995 112.722 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.2 pp -94.1 167.48 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.903 0.352 . . . . 72.420000000000002 110.843 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -78.63 174.82 10.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 72.430000000000007 111.553 -173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -82.64 -10.89 58.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.902 -0.59 . . . . 74.510000000000005 110.879 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -96.68 -9.91 28.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.143 0.497 . . . . 74.310000000000002 109.923 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' HD13 ' A' ' 21' ' ' LEU . 77.9 m -68.77 94.54 0.61 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.381 -0.827 . . . . 53.130000000000003 110.861 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -93.29 167.42 11.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.6 -0.727 . . . . 62.229999999999997 109.833 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -38.9 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.663 0.268 . . . . 62.409999999999997 110.998 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -65.08 -35.87 82.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.162 -0.472 . . . . 62.130000000000003 111.048 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -74.6 -42.69 58.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.534 0.683 . . . . 64.140000000000001 109.408 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 18' ' ' ILE . 2.7 tm? -64.95 -50.39 66.62 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.758 -1.11 . . . . 73.510000000000005 109.858 -173.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 13.8 ptt180 -66.31 -36.13 82.15 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.966 -0.561 . . . . 74.019999999999996 110.165 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.06 -40.33 90.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.639 0.257 . . . . 71.109999999999999 110.589 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.527 ' CD2' HG23 ' A' ' 79' ' ' VAL . 86.1 m-70 -70.46 -28.89 65.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 75.430000000000007 110.724 178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' HD2' ' O ' ' A' ' 30' ' ' LEU . 41.5 m-85 -91.48 -15.58 28.59 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.227 -0.296 . . . . 53.5 111.663 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 32.0 mt-10 -72.17 1.38 7.65 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.213 0.53 . . . . 74.319999999999993 110.671 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.79 -26.5 24.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.697 -0.683 . . . . 73.340000000000003 111.957 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -112.03 10.96 20.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.188 0.518 . . . . 65.299999999999997 110.191 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.13 179.67 39.17 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.546 -0.835 . . . . 35.439999999999998 112.986 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -102.12 123.31 45.76 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 122.243 0.217 . . . . 64.129999999999995 111.022 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD23 ' HG3' ' A' ' 35' ' ' GLU . 1.4 mm? -86.29 116.28 24.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.133 -0.627 . . . . 40.240000000000002 109.948 176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 p -82.64 -20.34 36.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.231 -0.895 . . . . 75.319999999999993 109.315 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 32.1 t70 -142.39 134.46 27.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.905 -1.043 . . . . 72.239999999999995 109.348 174.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.9 p -148.54 131.53 16.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.625 0.25 . . . . 73.409999999999997 110.559 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG21 " H1'" ' B' ' 5' ' ' ' G' . 14.1 p -163.76 150.26 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.363 -0.381 . . . . 73.140000000000001 111.109 -177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.35 151.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 74.109999999999999 110.017 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.487 ' HE2' ' CE2' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -96.63 134.5 39.8 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.733 0.778 . . . . 63.340000000000003 111.634 -175.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 5.2 mpt_? -105.56 161.03 14.71 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.682 -1.144 . . . . 64.439999999999998 109.193 177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 13.8 t70 -61.18 136.73 94.06 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.862 -0.421 . . . . 73.450000000000003 109.862 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.555 ' HA ' ' O2 ' ' B' ' 7' ' ' ' C' . 44.6 Cg_endo -68.47 -10.88 30.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.388 2.059 . . . . 74.549999999999997 112.682 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -110.03 -58.0 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 71.140000000000001 109.854 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.0 p -81.05 -24.52 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.683 -0.689 . . . . 74.230000000000004 111.342 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt 66.74 21.37 10.56 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.764 -0.653 . . . . 72.219999999999999 110.977 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -92.59 -75.25 0.49 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 70.530000000000001 110.925 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 5.8 p -158.41 158.57 34.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.827 -0.17 . . . . 74.319999999999993 110.808 -178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 14.9 mtm180 -125.75 4.04 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.971 0.36 . . . . 72.0 111.971 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.704 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 78.08 24.35 64.18 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.662 -0.78 . . . . 64.109999999999999 113.895 172.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.742 ' CE1' " H5'" ' B' ' 3' ' ' ' A' . 26.8 p90 -164.76 164.43 21.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.997 0.398 . . . . 72.310000000000002 110.674 176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.12 -170.26 27.74 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.95 -0.568 . . . . 52.229999999999997 112.011 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' CE2' ' HE2' ' A' ' 46' ' ' MET . 91.9 m-85 -136.44 155.13 50.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 72.040000000000006 111.326 -178.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -151.0 114.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 73.239999999999995 110.589 176.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 46.3 m -93.44 121.17 34.56 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.446 -0.576 . . . . 43.409999999999997 109.446 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.56 178.16 8.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.674 0.273 . . . . 64.420000000000002 110.458 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -32.99 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.457 0.646 . . . . 51.219999999999999 109.803 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 t -149.24 156.43 42.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.478 -0.783 . . . . 73.219999999999999 110.214 177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 m -55.06 -29.91 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 75.099999999999994 112.393 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -56.45 -35.84 68.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.172 0.51 . . . . 72.5 110.956 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.614 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 30.4 mt-10 -76.87 -40.17 48.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.543 -0.753 . . . . 73.329999999999998 110.561 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.673 HG13 HD13 ' A' ' 16' ' ' LEU . 50.1 t -56.56 -51.07 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.874 -0.603 . . . . 75.209999999999994 110.584 177.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.63 -34.82 76.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.634 -0.712 . . . . 73.329999999999998 110.9 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.936 0.398 . . . . 73.219999999999999 110.464 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.88 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.9 -0.591 . . . . 60.32 110.574 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 30.2 mtt -68.92 -40.31 79.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.039 -0.528 . . . . 71.040000000000006 110.6 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -66.86 -20.28 65.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.932 0.396 . . . . 63.100000000000001 110.822 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.12 14.11 8.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.438 0.533 . . . . 72.519999999999996 112.438 -174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 5.3 ptp85 -77.14 153.59 82.38 Favored Pre-proline 0 C--N 1.328 -0.358 0 C-N-CA 121.099 -0.24 . . . . 72.310000000000002 110.805 177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 35.7 Cg_endo -65.71 126.74 6.81 Favored 'Cis proline' 0 C--O 1.236 0.39 0 C-N-CA 123.423 -1.49 . . . . 75.400000000000006 112.456 -0.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 28.0 t-80 -74.8 149.77 39.55 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 72.340000000000003 109.571 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -133.9 114.86 13.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.44 -0.345 . . . . 64.409999999999997 110.344 -175.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG23 ' CD2' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -137.23 119.29 19.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.821 -0.627 . . . . 71.530000000000001 110.119 177.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.22 36.02 25.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.64 -0.709 . . . . 54.219999999999999 111.363 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 2.99 88.52 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.704 -0.68 . . . . 74.120000000000005 112.928 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.672 ' HG2' ' HA ' ' A' ' 21' ' ' LEU . 22.5 tpp180 -108.8 137.65 46.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.778 0.323 . . . . 72.099999999999994 110.938 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 60.9 t -89.64 125.45 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.263 -0.643 . . . . 71.120000000000005 109.263 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.28 171.64 5.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 74.510000000000005 111.528 -176.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -119.71 102.74 46.95 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.365 -0.834 . . . . 74.409999999999997 108.981 175.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HB2' HD21 ' A' ' 16' ' ' LEU . 30.1 Cg_endo -83.06 115.1 2.3 Favored 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.483 2.122 . . . . 75.150000000000006 111.602 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' O ' HD12 ' A' ' 16' ' ' LEU . 14.8 mtpp -119.43 150.35 40.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.392 -0.822 . . . . 72.230000000000004 110.519 -172.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 122.5 17.21 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.108 -0.701 . . . . 73.540000000000006 109.108 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.708 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -77.89 142.96 38.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.639 0.733 . . . . 73.209999999999994 111.841 -174.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.415 HG22 ' C2 ' ' B' ' 3' ' ' ' A' . 34.6 m -89.24 -178.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.397 -0.964 . . . . 71.420000000000002 108.397 169.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.673 ' HB2' ' OE1' ' A' ' 12' ' ' GLN . 33.9 t -85.73 149.53 25.23 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.678 -0.809 . . . . 74.400000000000006 109.053 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.518 ' HD2' " O2'" ' B' ' 4' ' ' ' G' . 4.3 ptm180 -68.32 -18.86 64.61 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.864 -0.791 . . . . 74.420000000000002 108.864 174.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -74.6 -33.35 62.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.943 -1.026 . . . . 74.140000000000001 109.596 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 91' ' ' SER . 1.4 m-20 -77.15 -25.95 52.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.409 -0.814 . . . . 74.549999999999997 110.882 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -77.27 103.88 7.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.752 -0.658 . . . . 53.0 111.028 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' H ' ' CD ' ' A' ' 96' ' ' GLN . 0.2 OUTLIER -98.84 -0.62 42.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.543 -0.753 . . . . 73.349999999999994 109.434 174.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.373 -0.831 . . . . 72.129999999999995 109.951 -178.848 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.764 " H5'" ' HA2' ' A' ' 20' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C4'-C3'-C2' 103.527 0.827 . 0.0 '__' . 74.430000000000007 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.752 ' H6 ' HO5' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C4'-C3'-C2' 105.127 2.427 . 0.0 OUTLIER zeta-1 74.150000000000006 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.836 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.016 1 C3'-C2'-C1' 97.488 -4.458 . 0.29 4b . 71.319999999999993 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.836 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 C1'-O4'-C4' 107.478 -2.358 . 0.0 OUTLIER gamma 74.109999999999999 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.85 " H4'" ' C5 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 C4'-C3'-C2' 106.172 3.472 OUTLIER-DELTA 0.0 OUTLIER gamma 74.519999999999996 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.729 ' H6 ' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 104.716 2.016 . 0.0 OUTLIER zeta-1 74.450000000000003 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.85 ' C5 ' " H4'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 103.096 -1.717 . 0.0 OUTLIER gamma 63.130000000000003 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.814 0.34 . . . . 64.340000000000003 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -85.77 103.58 14.67 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.037 -0.357 . . . . 74.129999999999995 110.037 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -97.1 -12.84 22.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.073 0.463 . . . . 72.219999999999999 110.694 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -149.92 136.88 19.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.903 -0.59 . . . . 74.209999999999994 110.435 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -68.91 -78.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.014 -0.736 . . . . 72.400000000000006 109.014 172.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 m -161.59 132.92 3.89 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.075 -0.966 . . . . 61.240000000000002 108.67 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.43 124.89 17.4 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.154 1.903 . . . . 73.329999999999998 110.429 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -77.17 58.93 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.545 0.688 . . . . 72.329999999999998 111.858 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' HB3' ' HE ' ' A' ' 14' ' ' ARG . 7.4 mm-40 -78.94 138.53 57.23 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 107.975 -1.12 . . . . 72.230000000000004 107.975 170.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.647 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 47.8 Cg_endo -69.01 91.59 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 121.421 1.414 . . . . 75.430000000000007 111.047 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.598 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 26.9 tt0 -62.27 -19.33 63.14 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.573 -0.74 . . . . 65.299999999999997 109.937 -177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -65.86 -53.73 35.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 73.439999999999998 111.037 176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.647 ' HG ' ' HB2' ' A' ' 10' ' ' PRO . 4.7 pp -90.89 -13.41 33.68 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.678 -0.409 . . . . 64.010000000000005 111.83 -171.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' HE ' ' HB3' ' A' ' 9' ' ' GLU . 80.0 mtt-85 -92.26 -9.38 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.885 -0.326 . . . . 75.439999999999998 110.405 175.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 22.5 ttmm -88.04 136.4 32.99 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.38 0.609 . . . . 50.140000000000001 110.679 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD13 HG13 ' A' ' 68' ' ' VAL . 8.1 tp -101.52 123.62 45.86 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.128 -0.942 . . . . 71.129999999999995 109.561 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 14.0 t80 -86.38 112.94 21.93 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.06 -0.719 . . . . 72.409999999999997 109.06 176.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.4 mm -104.26 101.24 12.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.007 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.14 142.98 17.39 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.942 -1.123 . . . . 64.430000000000007 112.397 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.1 34.46 8.18 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.032 -0.604 . . . . 74.120000000000005 112.574 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.618 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.0 pp -98.53 174.5 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.808 0.337 . . . . 63.350000000000001 111.185 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -75.73 167.9 21.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.875 -0.602 . . . . 75.209999999999994 111.492 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 1.042 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 87.6 m-85 -85.7 -1.33 57.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.6 0.714 . . . . 74.540000000000006 109.642 177.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.41 -9.5 32.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.82 -1.082 . . . . 63.140000000000001 109.441 175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.618 ' HB ' HD13 ' A' ' 21' ' ' LEU . 55.5 m -76.82 104.14 7.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.195 -0.911 . . . . 73.219999999999999 111.386 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -107.33 169.61 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.618 -0.719 . . . . 70.209999999999994 110.235 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' HA ' HG13 ' A' ' 45' ' ' VAL . 5.6 t70 -52.02 -48.48 64.5 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.055 0.542 . . . . 72.329999999999998 111.809 -174.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.16 -37.71 88.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.079 -0.509 . . . . 73.420000000000002 111.48 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' HD2' ' A' ' 33' ' ' HIS . 48.7 m -78.27 -32.31 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.045 -0.354 . . . . 72.340000000000003 110.045 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 45' ' ' VAL . 20.8 tp -66.1 -48.31 71.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.611 -0.514 . . . . 63.439999999999998 109.611 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 5.7 ptm180 -65.25 -39.56 92.83 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.786 -0.643 . . . . 73.030000000000001 110.293 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -62.17 -38.83 90.57 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.884 -0.326 . . . . 64.030000000000001 110.928 -176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CD2' HG23 ' A' ' 79' ' ' VAL . 80.8 m-70 -74.6 -39.13 62.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 74.219999999999999 111.137 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 40' ' ' LEU . 39.3 m-85 -85.54 -19.86 30.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.611 0.597 . . . . 71.230000000000004 112.611 -175.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG2' ' HG ' ' A' ' 40' ' ' LEU . 28.7 mt-10 -78.47 10.26 3.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.277 0.56 . . . . 74.409999999999997 110.61 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.13 -25.89 31.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.587 -0.733 . . . . 74.150000000000006 111.245 177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.3 m-90 -113.13 12.21 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 75.099999999999994 110.505 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.529 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 165.94 -170.14 40.55 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 120.218 -0.991 . . . . 60.439999999999998 113.152 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 52.4 m -108.39 123.1 48.31 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 122.428 0.291 . . . . 51.0 110.776 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.735 HD22 ' HB ' ' A' ' 60' ' ' VAL . 39.2 mt -92.59 108.06 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.539 . . . . 71.340000000000003 110.367 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.8 p -80.32 -16.22 55.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 54.43 110.369 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 26.2 t70 -151.47 105.3 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.355 -0.839 . . . . 61.049999999999997 110.571 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.51 143.81 47.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.613 -0.435 . . . . 55.43 110.108 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.588 HG21 " H1'" ' B' ' 5' ' ' ' G' . 14.8 p -163.56 146.23 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 63.420000000000002 110.36 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG12 HD22 ' A' ' 30' ' ' LEU . 34.0 m -124.37 156.97 32.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.023 0.44 . . . . 72.540000000000006 110.576 178.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.742 ' HG3' H5'' ' B' ' 4' ' ' ' G' . 17.1 mmt -104.63 132.01 51.37 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.974 -0.751 . . . . 63.219999999999999 108.974 178.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 38.9 mtp180 -121.48 144.58 48.62 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 110.156 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 11.2 t70 -50.32 137.05 22.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 O-C-N 124.115 0.884 . . . . 72.230000000000004 110.821 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.54 -18.51 59.52 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.306 2.004 . . . . 61.25 112.257 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -102.96 -55.43 2.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 72.140000000000001 110.109 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.524 ' HB ' ' HD3' ' A' ' 53' ' ' ARG . 16.6 p -82.39 -30.58 30.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.576 -0.738 . . . . 60.340000000000003 111.045 -174.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.6 mmmm 66.57 26.52 9.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.493 -0.776 . . . . 62.32 111.413 -177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.524 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 4.7 mpt_? -92.36 -76.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.683 0.278 . . . . 72.030000000000001 110.276 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 1.042 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 42.7 t -155.36 155.05 32.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 73.299999999999997 110.236 178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 71.2 mtp180 -101.55 1.79 38.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.741 -0.663 . . . . 72.420000000000002 110.366 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.673 ' HA3' " C2'" ' B' ' 1' ' ' ' U' . . . 89.64 10.51 65.16 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.734 -0.746 . . . . 45.140000000000001 112.756 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.748 ' CD2' " H4'" ' B' ' 2' ' ' ' U' . 18.4 p90 -158.95 160.05 35.58 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.365 0.602 . . . . 71.030000000000001 111.74 176.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.43 -178.45 31.5 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.196 -0.911 . . . . 72.450000000000003 111.267 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.494 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 96.8 m-85 -135.89 148.51 48.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.221 0.534 . . . . 74.409999999999997 111.248 -177.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.735 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -148.31 109.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.203 -0.908 . . . . 73.239999999999995 110.685 -177.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 3.6 m -95.87 115.28 27.19 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.713 -0.676 . . . . 71.310000000000002 109.616 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 39' ' ' THR . 57.5 m-85 -77.86 176.19 9.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.818 0.342 . . . . 71.299999999999997 111.03 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.24 -37.03 58.18 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.435 0.636 . . . . 72.140000000000001 109.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.6 t -143.54 160.21 41.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.196 -0.911 . . . . 74.310000000000002 109.619 175.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.73 -17.83 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.81 0.338 . . . . 75.400000000000006 111.22 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 73.450000000000003 110.153 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' HB3' ' HA3' ' A' ' 38' ' ' GLY . 20.6 mt-10 -77.1 -38.12 52.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.667 -0.697 . . . . 70.129999999999995 109.693 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.697 HG13 HD13 ' A' ' 16' ' ' LEU . 20.0 t -54.83 -49.01 73.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.379 -0.828 . . . . 60.439999999999998 110.4 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -59.32 -40.83 87.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.823 -0.626 . . . . 71.019999999999996 110.933 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.22 96.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 73.319999999999993 110.7 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.85 82.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.123 0.487 . . . . 63.210000000000001 110.58 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 36.7 mtt -66.18 -37.86 86.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.767 -0.651 . . . . 72.519999999999996 110.746 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.21 -4.1 48.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.979 -0.555 . . . . 72.150000000000006 110.531 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.74 12.04 33.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.795 -0.639 . . . . 70.209999999999994 110.647 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 15.0 ptt180 -76.02 152.09 84.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 65.319999999999993 110.359 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 17.4 Cg_exo -66.16 127.0 7.36 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.584 -1.423 . . . . 64.140000000000001 111.843 -1.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' O ' ' HA ' ' A' ' 83' ' ' VAL . 26.4 t-80 -73.83 153.35 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.014 -0.539 . . . . 75.109999999999999 109.931 -177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -136.91 112.86 9.63 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.274 -0.421 . . . . 72.420000000000002 110.272 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -136.66 124.05 32.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 73.340000000000003 109.887 176.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 62.89 30.74 16.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.502 -0.772 . . . . 71.019999999999996 110.988 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.59 23.8 77.38 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.639 -0.709 . . . . 54.219999999999999 112.417 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -126.26 132.58 51.67 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.314 -0.254 . . . . 72.010000000000005 110.314 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 62.4 t -81.78 126.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.879 -0.415 . . . . 75.510000000000005 109.879 177.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 21' ' ' LEU . 32.6 m -120.89 173.82 6.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.166 -0.47 . . . . 23.440000000000001 111.391 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.476 ' HB2' ' H3 ' ' B' ' 2' ' ' ' U' . 59.8 mt-10 -115.1 113.49 43.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 74.510000000000005 109.468 171.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 16' ' ' LEU . 25.3 Cg_endo -91.72 103.59 0.23 Allowed 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 122.661 2.241 . . . . 71.420000000000002 111.028 173.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -117.12 154.83 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.286 -0.87 . . . . 72.099999999999994 110.546 -171.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.75 130.44 44.94 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.279 -0.637 . . . . 61.5 109.279 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.516 ' HB1' ' O6 ' ' B' ' 4' ' ' ' G' . . . -74.19 138.46 43.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.554 0.692 . . . . 74.329999999999998 112.35 -174.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 91' ' ' SER . 9.9 p -91.66 175.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 74.510000000000005 108.612 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.489 ' H ' HG22 ' A' ' 90' ' ' VAL . 26.4 t -60.2 140.04 57.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.271 0.487 . . . . 61.409999999999997 110.537 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.84 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 13.3 ptt180 -62.9 -30.98 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.003 -0.544 . . . . 73.219999999999999 110.232 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -77.46 -42.5 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.430000000000007 111.169 -176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.63 -15.25 37.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.767 -0.651 . . . . 71.239999999999995 112.506 -176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.55 ' HB3' ' N2 ' ' B' ' 4' ' ' ' G' . 21.8 t -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.813 -0.355 . . . . 74.540000000000006 111.074 178.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -123.46 -45.78 2.06 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.348 -0.22 . . . . 74.310000000000002 111.473 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 120.874 -0.33 . . . . 71.400000000000006 110.361 -178.74 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.856 " H3'" H5'' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C4'-C3'-C2' 104.786 2.086 . 0.0 '__' . 74.420000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.856 H5'' " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.708 0.934 . 0.0 OUTLIER . 72.310000000000002 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.722 ' OP2' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 108.331 1.38 . 0.0 OUTLIER gamma 71.109999999999999 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.84 ' C2 ' ' HA ' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.028 1 C1'-O4'-C4' 105.465 -4.594 OUTLIER-EPSILON 0.0 OUTLIER alpha 75.310000000000002 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 1.068 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 C4'-C3'-C2' 106.051 3.351 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 74.319999999999993 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.068 H5'' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 C4'-C3'-C2' 104.547 1.847 . 0.0 OUTLIER gamma 75.409999999999997 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.725 ' C6 ' " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 O4'-C1'-C2' 107.882 1.058 . 0.0 OUTLIER . 74.230000000000004 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.444 -0.206 . . . . 52.130000000000003 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 60.55 67.05 0.86 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.629 0.728 . . . . 73.530000000000001 109.45 -176.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -161.0 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.323 -0.853 . . . . 75.530000000000001 109.939 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.0 m -118.85 114.89 23.34 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.585 -0.734 . . . . 62.399999999999999 109.971 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -76.18 134.03 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.904 0.383 . . . . 73.109999999999999 110.145 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -96.46 118.74 65.09 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.878 -0.601 . . . . 75.25 110.864 -175.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.19 124.34 13.72 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.317 2.011 . . . . 63.140000000000001 110.468 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -75.21 88.99 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.545 0.688 . . . . 73.209999999999994 110.298 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' A' ' 9' ' ' GLU . 9.0 pt-20 -92.63 145.37 30.28 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 114.749 -1.114 . . . . 73.010000000000005 109.808 176.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 9' ' ' GLU . 1.6 Cg_endo -75.82 109.3 2.87 Favored 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 121.888 1.726 . . . . 42.210000000000001 110.895 177.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.0 pt-20 -70.55 -12.26 61.46 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.356 -0.609 . . . . 53.43 109.356 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.53 -59.43 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.714 -0.676 . . . . 74.019999999999996 110.962 173.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.61 -3.93 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 73.230000000000004 110.761 -174.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' NE ' ' HB2' ' A' ' 9' ' ' GLU . 53.6 mtt180 -102.69 -6.93 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 65.430000000000007 110.65 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 20.5 ttmm -98.02 138.69 34.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.462 0.649 . . . . 74.230000000000004 109.535 177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB2' HG13 ' A' ' 60' ' ' VAL . 5.2 mt -101.22 129.32 47.13 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.161 -0.927 . . . . 72.510000000000005 110.309 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CZ ' " H1'" ' B' ' 2' ' ' ' U' . 34.0 t80 -85.44 114.38 22.44 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.102 -0.703 . . . . 71.549999999999997 109.102 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mm -109.28 105.28 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.309 -0.405 . . . . 73.430000000000007 110.324 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' C2 ' ' B' ' 2' ' ' ' U' . . . -116.5 144.55 18.47 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 119.894 -1.146 . . . . 53.509999999999998 112.079 -178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.0 17.23 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.862 -0.685 . . . . 41.200000000000003 113.039 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD13 ' HB ' ' A' ' 25' ' ' THR . 2.9 pp -90.7 169.14 11.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.168 0.484 . . . . 74.239999999999995 110.77 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -74.52 172.06 12.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.225 0.536 . . . . 62.420000000000002 111.099 -173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.575 ' HA ' ' HB2' ' A' ' 54' ' ' SER . 83.6 m-85 -85.79 -2.15 57.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.018 -0.537 . . . . 73.439999999999998 109.759 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -99.77 -13.75 19.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 74.129999999999995 109.89 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.64 ' HB ' HD13 ' A' ' 21' ' ' LEU . 90.8 m -65.48 123.43 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 61.420000000000002 110.27 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 HG23 ' HG2' ' A' ' 28' ' ' GLU . 5.1 t -132.64 173.82 10.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.695 -0.483 . . . . 60.240000000000002 109.695 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -47.2 -47.63 24.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.837 0.455 . . . . 75.230000000000004 112.093 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 26' ' ' THR . 8.7 pt-20 -60.81 -45.17 95.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 54.219999999999999 111.767 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -79.71 -25.34 41.19 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.578 -0.449 . . . . 64.319999999999993 110.593 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.18 -56.19 14.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.364 -0.606 . . . . 53.130000000000003 109.364 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.4 ptm180 -71.17 -34.05 70.56 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.213 -0.595 . . . . 60.439999999999998 110.645 -176.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -65.76 -30.12 70.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.978 -0.289 . . . . 75.519999999999996 111.475 -176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.521 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 55.9 m-70 -93.44 -9.17 39.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.822 -0.351 . . . . 61.399999999999999 111.215 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' HB2' HD21 ' A' ' 40' ' ' LEU . 29.6 m-85 -107.34 -23.17 12.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.054 0.391 . . . . 75.409999999999997 112.054 177.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.755 ' HG2' HD13 ' A' ' 40' ' ' LEU . 29.9 mt-10 -75.21 15.56 0.42 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.001 0.429 . . . . 75.519999999999996 111.335 178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 34' ' ' PHE . 12.8 mt-30 -91.81 -21.96 20.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.121 -0.491 . . . . 72.329999999999998 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 29.7 m-90 -115.77 13.55 16.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.118 0.485 . . . . 65.420000000000002 110.167 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 166.35 -172.15 41.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.305 -0.95 . . . . 60.219999999999999 112.988 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 87.5 m -104.12 122.91 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.372 0.269 . . . . 61.5 110.408 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.8 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.9 mp -93.78 111.3 22.97 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.071 -0.652 . . . . 74.420000000000002 109.548 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -77.75 -25.45 49.2 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.826 -0.805 . . . . 73.109999999999999 108.826 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.647 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 27.7 t70 -141.0 141.68 34.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.531 -1.213 . . . . 74.329999999999998 109.901 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 31' ' ' ARG . 29.3 p -153.02 142.24 21.49 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.156 -0.683 . . . . 73.120000000000005 109.156 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 HG11 ' C4 ' ' B' ' 5' ' ' ' G' . 7.1 p -163.58 140.29 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.037 0.446 . . . . 64.140000000000001 111.476 -178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -108.96 137.73 39.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 108.751 -0.833 . . . . 75.409999999999997 108.751 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.784 ' HE1' " H1'" ' B' ' 4' ' ' ' G' . 23.8 mmt -81.05 134.19 35.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.937 0.398 . . . . 73.219999999999999 111.099 -176.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.88 151.04 32.76 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.646 -0.706 . . . . 61.25 109.295 175.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 13.6 t70 -62.57 143.38 96.36 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 116.083 -0.508 . . . . 74.409999999999997 109.798 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.37 -19.15 38.37 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.176 1.918 . . . . 63.130000000000003 112.276 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -101.69 -59.76 1.64 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.201 0.524 . . . . 74.299999999999997 110.034 -176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.3 p -74.66 -30.97 61.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.676 -0.693 . . . . 64.420000000000002 110.378 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.519 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 31.9 mmmt 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.23 -0.896 . . . . 74.120000000000005 110.659 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -109.7 162.81 14.08 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.642 -0.708 . . . . 73.450000000000003 109.833 175.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' A' ' 23' ' ' PHE . 3.7 m -52.05 125.41 15.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.727 0.642 . . . . 73.030000000000001 111.733 -175.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -87.44 16.91 4.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 73.209999999999994 111.919 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 75.64 19.65 78.97 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.789 -0.72 . . . . 51.240000000000002 113.257 175.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CD2' H5'' ' B' ' 2' ' ' ' U' . 10.4 p90 -163.53 164.74 24.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.932 0.366 . . . . 73.209999999999994 110.679 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.0 -166.14 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 116.056 -0.52 . . . . 61.109999999999999 111.805 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.436 ' HB3' ' HD3' ' A' ' 15' ' ' LYS . 69.0 m-85 -139.65 157.36 45.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.204 0.526 . . . . 72.319999999999993 111.095 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.8 HG23 ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -147.04 123.42 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.45 -0.795 . . . . 61.119999999999997 110.65 -178.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.647 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.0 m -111.39 119.19 38.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.97 -0.382 . . . . 70.439999999999998 109.97 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 39' ' ' THR . 58.2 m-85 -86.3 172.81 10.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.211 -0.449 . . . . 74.5 110.859 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.15 67.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.389 0.614 . . . . 64.319999999999993 109.906 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.511 HG23 ' HG3' ' A' ' 67' ' ' GLU . 3.7 t -147.91 161.0 42.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.449 -0.796 . . . . 75.310000000000002 110.113 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -63.27 -25.82 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 73.219999999999999 112.603 -174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.75 -19.15 60.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.852 -0.339 . . . . 73.310000000000002 111.465 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.3 mt-10 -79.47 -34.6 41.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.171 -0.677 . . . . 64.109999999999999 109.171 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 72' ' ' MET . 25.0 t -58.45 -45.4 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.331 -0.849 . . . . 63.100000000000001 109.457 171.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.6 -42.03 82.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.738 -0.664 . . . . 72.239999999999995 110.842 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.71 84.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.586 -0.279 . . . . 43.020000000000003 110.776 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.3 -32.02 68.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.001 0.429 . . . . 64.530000000000001 110.345 176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.692 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 39.8 mtt -72.28 -23.3 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 71.140000000000001 110.529 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -80.29 -19.03 47.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.402 0.62 . . . . 73.409999999999997 109.7 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.84 -8.94 55.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.305 -0.861 . . . . 75.120000000000005 111.692 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.696 ' HA ' ' C ' ' A' ' 76' ' ' PRO . 35.2 ptt180 -78.39 149.34 75.37 Favored Pre-proline 0 N--CA 1.452 -0.358 0 N-CA-C 110.123 -0.325 . . . . 64.129999999999995 110.123 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.696 ' C ' ' HA ' ' A' ' 75' ' ' ARG . 32.3 Cg_exo -59.68 124.6 2.03 Favored 'Cis proline' 0 C--N 1.347 0.46 0 C-N-CA 123.609 -1.413 . . . . 75.049999999999997 112.761 2.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 18.9 t-80 -78.67 167.03 21.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.43 -0.804 . . . . 73.310000000000002 110.435 -172.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.561 ' HD2' ' HA2' ' A' ' 81' ' ' GLY . 16.8 tppt? -147.07 108.6 4.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 70.540000000000006 110.551 -175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -133.82 130.04 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.879 -0.601 . . . . 72.349999999999994 109.771 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 63.66 18.74 11.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.759 0.79 . . . . 75.439999999999998 110.388 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.561 ' HA2' ' HD2' ' A' ' 78' ' ' LYS . . . 80.09 13.43 82.04 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.933 -0.651 . . . . 72.439999999999998 111.879 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -112.68 134.69 54.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.692 0.282 . . . . 64.400000000000006 110.299 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' HIS . 58.1 t -81.58 120.65 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 51.539999999999999 109.951 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 21' ' ' LEU . 35.2 m -118.27 166.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 72.5 111.304 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -110.33 107.76 58.51 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.896 -0.593 . . . . 72.310000000000002 110.135 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -92.88 103.72 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.289 2.659 . . . . 52.119999999999997 111.725 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -124.2 150.62 45.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.826 -0.625 . . . . 63.399999999999999 110.473 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -55.55 130.51 43.17 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.268 0.227 . . . . 55.030000000000001 110.891 -176.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -72.87 158.0 36.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.5 0.667 . . . . 70.010000000000005 111.862 -176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.43 HG12 ' C2 ' ' B' ' 3' ' ' ' A' . 15.0 p -113.47 161.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.022 -0.99 . . . . 74.219999999999999 109.047 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 m -58.33 132.46 53.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.664 0.269 . . . . 74.340000000000003 110.622 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -65.29 -31.04 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.325 -0.621 . . . . 62.530000000000001 109.325 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mp0 -64.98 -44.22 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.465 -0.789 . . . . 54.049999999999997 110.159 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -40.88 96.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.618 -0.719 . . . . 75.510000000000005 111.7 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.2 m -74.55 -29.81 61.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 44.509999999999998 111.394 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -83.1 73.32 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.084 0.469 . . . . 71.430000000000007 110.405 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.674 -0.679 . . . . 64.439999999999998 109.739 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.595 " H3'" " C5'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 C3'-C2'-C1' 104.047 2.83 OUTLIER-DELTA 0.0 '__' . 74.519999999999996 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.595 " C5'" " H3'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 103.607 0.907 . 0.0 OUTLIER gamma 74.409999999999997 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.882 " H4'" " H5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 98.374 -3.473 . 0.0 OUTLIER gamma 75.019999999999996 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.882 " H5'" " H4'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C1'-O4'-C4' 106.929 -2.968 . 0.0 OUTLIER gamma 63.310000000000002 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.746 ' C8 ' ' H8 ' ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C3'-C2'-C1' 100.002 -1.665 . 0.0 OUTLIER gamma 75.230000000000004 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 1.052 " H3'" " C5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.8 1.0 . 0.0 OUTLIER gamma 74.329999999999998 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 1.052 " C5'" " H3'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 104.174 -0.947 . 0.0 OUTLIER . 74.310000000000002 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.177 -0.305 . . . . 54.409999999999997 110.177 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m -67.05 -49.46 65.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 70.230000000000004 110.426 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 3' ' ' LYS . 64.5 mmtt -104.7 78.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.68 0.752 . . . . 72.219999999999999 111.713 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 t -102.69 140.99 36.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.476 -1.305 . . . . 64.349999999999994 107.476 168.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -54.35 106.99 0.23 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.816 0.817 . . . . 70.540000000000006 110.373 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -139.58 88.89 12.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.476 -0.784 . . . . 70.109999999999999 111.133 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -97.84 34.06 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 123.521 2.814 . . . . 74.230000000000004 110.072 167.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.82 91.55 2.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.451 -0.795 . . . . 73.0 110.172 -173.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.768 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.6 mp0 -133.25 158.15 76.43 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.174 -0.921 . . . . 74.150000000000006 108.608 173.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -49.33 139.04 29.23 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.477 2.118 . . . . 65.140000000000001 112.39 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -52.67 -39.42 61.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.551 . . . . 75.430000000000007 109.907 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.52 -61.96 1.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.737 -1.12 . . . . 73.120000000000005 112.361 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.768 HD21 ' HB3' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -87.48 -1.29 57.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.426 -0.51 . . . . 73.010000000000005 111.559 -170.274 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 9' ' ' GLU . 63.1 mtm180 -99.09 -14.52 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 75.349999999999994 110.399 173.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -89.28 140.52 29.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.424 0.631 . . . . 61.530000000000001 109.715 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.575 HD13 HG13 ' A' ' 68' ' ' VAL . 8.9 tp -109.94 130.32 55.54 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.354 -0.839 . . . . 72.209999999999994 109.474 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.638 ' CE1' " H1'" ' B' ' 2' ' ' ' U' . 27.3 t80 -84.89 113.82 21.67 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.188 -0.671 . . . . 72.340000000000003 109.188 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -107.51 98.2 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.48 -0.327 . . . . 72.450000000000003 110.428 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.01 146.57 18.85 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.299 -0.953 . . . . 41.039999999999999 111.785 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.498 ' HA2' " C5'" ' B' ' 1' ' ' ' U' . . . 95.0 38.96 4.71 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.579 -0.82 . . . . 74.430000000000007 112.191 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' HB ' ' A' ' 25' ' ' THR . 3.1 pp -111.33 169.53 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 74.400000000000006 110.413 177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.9 p -82.07 169.77 16.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.266 -0.425 . . . . 62.130000000000003 110.981 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.913 ' HA ' ' HB3' ' A' ' 54' ' ' SER . 84.1 m-85 -81.48 0.1 39.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.847 0.832 . . . . 72.239999999999995 109.016 175.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -97.75 -10.21 25.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.17 -1.377 . . . . 73.099999999999994 109.061 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.649 ' HB ' HD13 ' A' ' 21' ' ' LEU . 58.8 m -76.21 97.18 4.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.992 -1.003 . . . . 73.010000000000005 110.019 175.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -94.31 166.3 12.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.165 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.636 ' OD1' ' HA ' ' A' ' 44' ' ' VAL . 16.1 t70 -49.68 -50.29 44.22 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.068 0.547 . . . . 73.329999999999998 111.897 -174.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.92 -37.82 88.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.051 -0.522 . . . . 75.310000000000002 111.446 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 m -70.92 -34.67 71.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.908 -0.404 . . . . 51.119999999999997 109.908 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD22 HG22 ' A' ' 45' ' ' VAL . 33.0 tp -61.01 -53.83 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 75.140000000000001 110.059 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 11.4 ptt85 -63.85 -37.92 89.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.008 -178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -64.88 -26.67 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 73.299999999999997 111.569 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.533 ' O ' ' HZ3' ' A' ' 37' ' ' TRP . 78.4 m-70 -90.8 -10.08 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.881 -0.328 . . . . 61.130000000000003 111.536 178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' HB2' HD21 ' A' ' 40' ' ' LEU . 42.6 m-85 -112.81 -19.78 11.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.691 0.626 . . . . 74.409999999999997 112.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.575 ' HG2' HD13 ' A' ' 40' ' ' LEU . 52.2 mt-10 -73.59 2.59 7.69 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.103 0.478 . . . . 75.349999999999994 110.743 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HB2' ' CE3' ' A' ' 37' ' ' TRP . 46.9 mt-30 -74.51 -39.3 62.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.769 -0.65 . . . . 74.400000000000006 111.348 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.533 ' HZ3' ' O ' ' A' ' 33' ' ' HIS . 27.8 m-90 -103.2 4.44 36.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 74.239999999999995 111.065 -176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' ' HB3' ' A' ' 67' ' ' GLU . . . 173.72 175.36 41.36 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 119.911 -1.138 . . . . 51.32 113.403 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 94.8 m -89.57 125.71 35.33 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.418 0.287 . . . . 73.230000000000004 111.055 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.688 ' HG ' HG23 ' A' ' 60' ' ' VAL . 3.0 mp -93.9 109.96 21.64 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.003 0.43 . . . . 73.25 110.327 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -78.35 -21.73 49.05 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.643 0.735 . . . . 63.439999999999998 109.209 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' HB3' ' HB ' ' A' ' 61' ' ' THR . 36.1 t70 -144.71 140.65 28.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.917 -1.038 . . . . 74.129999999999995 109.525 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.6 p -152.75 132.56 13.22 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.978 -0.749 . . . . 50.030000000000001 108.978 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.636 ' HA ' ' OD1' ' A' ' 27' ' ' ASP . 5.9 p -161.16 129.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.406 0.622 . . . . 74.340000000000003 112.175 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG23 ' HA ' ' A' ' 27' ' ' ASP . 88.7 t -96.64 141.36 15.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 108.912 -0.773 . . . . 73.230000000000004 108.912 171.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 55' ' ' ARG . 23.7 mmt -82.45 133.86 35.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.817 -0.808 . . . . 74.349999999999994 108.817 175.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 45' ' ' VAL . 4.1 mpt_? -116.81 148.28 41.36 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.537 -0.465 . . . . 74.430000000000007 111.125 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' O ' ' HD2' ' A' ' 52' ' ' LYS . 9.2 t70 -57.95 136.8 83.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.052 -0.976 . . . . 72.310000000000002 109.704 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -62.55 -20.79 71.73 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.336 2.024 . . . . 65.019999999999996 112.144 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -102.99 -58.18 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.973 -0.558 . . . . 54.439999999999998 110.252 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 48' ' ' ASP . 15.3 p -76.28 -29.71 57.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 64.409999999999997 111.176 -174.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 48' ' ' ASP . 14.3 mmmm 61.92 23.98 14.2 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.839 -0.619 . . . . 72.540000000000006 111.247 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -94.52 -68.46 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.05 0.452 . . . . 72.239999999999995 110.592 -176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.913 ' HB3' ' HA ' ' A' ' 23' ' ' PHE . 34.9 t -163.87 170.39 16.87 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.995 -0.743 . . . . 70.409999999999997 108.995 177.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 46' ' ' MET . 47.0 mtp180 -120.53 6.82 10.56 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.03 0.443 . . . . 63.119999999999997 110.608 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.703 ' HA3' " H2'" ' B' ' 1' ' ' ' U' . . . 88.38 5.46 75.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.612 -0.804 . . . . 44.450000000000003 112.447 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' " H5'" ' B' ' 2' ' ' ' U' . 6.3 p90 -162.95 164.01 25.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.049 0.452 . . . . 74.310000000000002 110.977 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.75 -173.94 28.88 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.764 -0.653 . . . . 72.329999999999998 111.579 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 17' ' ' PHE . 80.9 m-85 -135.07 155.88 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.286 0.565 . . . . 75.530000000000001 111.282 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.688 HG23 ' HG ' ' A' ' 40' ' ' LEU . 2.5 p -147.75 129.71 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.23 -0.896 . . . . 65.310000000000002 110.037 -177.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.634 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 28.2 m -118.36 121.62 40.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.558 -0.534 . . . . 72.310000000000002 109.558 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . 69.6 m-85 -86.14 178.43 7.21 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.06 -0.518 . . . . 73.010000000000005 111.212 -178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.81 60.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 65.239999999999995 110.61 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 t -162.54 163.69 27.23 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.611 -0.722 . . . . 75.349999999999994 109.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.4 m -57.91 -27.05 29.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.348 0.499 . . . . 64.010000000000005 112.348 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.1 -42.31 99.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.087 0.47 . . . . 74.230000000000004 111.017 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 62' ' ' TYR . 5.4 mm-40 -63.09 -39.68 95.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.513 -0.767 . . . . 74.219999999999999 109.886 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG13 HD13 ' A' ' 16' ' ' LEU . 25.1 t -61.91 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.261 -0.881 . . . . 53.210000000000001 111.067 178.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.51 -49.2 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 64.439999999999998 110.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.19 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 75.239999999999995 111.573 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.45 77.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 53.350000000000001 110.897 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.3 mtt -70.53 -37.94 74.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.114 0.483 . . . . 64.319999999999993 110.326 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.3 -6.2 38.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.665 -0.698 . . . . 60.200000000000003 110.475 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.66 8.22 40.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.64 -0.709 . . . . 75.430000000000007 110.929 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 ttm-85 -66.61 140.47 96.47 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 64.239999999999995 110.022 175.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.7 127.33 14.1 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.972 -1.262 . . . . 72.25 112.259 0.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.706 -0.679 . . . . 75.150000000000006 110.249 -177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -139.65 110.22 6.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.597 -0.274 . . . . 72.129999999999995 110.545 -176.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 34' ' ' PHE . 98.4 t -121.84 121.38 64.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.567 -0.531 . . . . 70.319999999999993 109.567 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 64.26 23.6 13.13 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.794 0.807 . . . . 63.119999999999997 110.35 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.53 19.76 79.77 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.408 -0.901 . . . . 74.209999999999994 111.578 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -116.56 133.25 56.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 72.299999999999997 109.296 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.8 t -76.17 106.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.778 0.323 . . . . 63.409999999999997 110.231 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.32 161.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.237 -0.438 . . . . 75.319999999999993 110.052 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 39.2 tt0 -117.63 113.05 38.54 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-O 120.864 0.364 . . . . 75.310000000000002 110.318 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HB2' HD21 ' A' ' 16' ' ' LEU . 20.0 Cg_endo -93.1 110.37 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 123.422 2.748 . . . . 74.219999999999999 112.279 177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' HG2' ' HB3' ' A' ' 17' ' ' PHE . 17.0 ptpt -122.1 158.22 29.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.396 . . . . 72.310000000000002 110.219 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -61.21 122.88 16.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.177 -0.305 . . . . 62.409999999999997 110.177 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HA ' ' N1 ' ' B' ' 3' ' ' ' A' . . . -73.93 140.49 45.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 70.310000000000002 111.579 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.521 HG22 ' C2 ' ' B' ' 3' ' ' ' A' . 28.9 m -85.61 -177.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.483 -0.78 . . . . 73.019999999999996 109.602 172.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 m -72.93 151.9 41.66 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.539 -0.541 . . . . 63.100000000000001 109.539 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.491 ' HA ' ' C2 ' ' B' ' 4' ' ' ' G' . 21.9 ptt85 -78.54 -12.2 60.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.404 0.621 . . . . 73.329999999999998 109.566 176.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -83.39 -11.82 57.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.331 -0.849 . . . . 72.239999999999995 109.965 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.27 -27.03 53.02 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.844 -0.616 . . . . 74.209999999999994 110.104 -177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -49.6 129.78 19.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.69 -1.141 . . . . 65.329999999999998 111.773 -174.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.25 -58.51 2.47 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.56 -0.904 . . . . 60.32 108.56 177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 115.622 -0.717 . . . . 75.310000000000002 110.32 179.775 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.703 " H2'" ' HA3' ' A' ' 56' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 102.795 1.438 . 0.0 '__' . 74.519999999999996 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.638 " H1'" ' CE1' ' A' ' 17' ' ' PHE . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 P-O3'-C3' 118.821 -0.733 . 0.12 2[ . 75.230000000000004 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.703 ' N1 ' ' HA ' ' A' ' 89' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 C3'-C2'-C1' 98.008 -3.88 . 0.0 OUTLIER alpha 75.400000000000006 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.75 " H4'" ' OP1' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C1'-O4'-C4' 106.357 -3.603 . 0.0 OUTLIER gamma 71.140000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.983 " H5'" H5'' ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C4'-C3'-C2' 104.228 1.528 . 0.0 OUTLIER gamma 74.219999999999999 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' U' . . . . . 0.989 " C4'" " H3'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 C3'-C2'-C1' 102.946 1.607 . 0.0 OUTLIER alpha 73.340000000000003 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.989 " H3'" " C4'" ' B' ' 6' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.749 0.964 . 0.0 OUTLIER '7D dist 6d' 75.329999999999998 . . . . . . . . . . 2 2 . 1 stop_ save_